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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-08-27 00:10:39 UTC

Update Date

2022-09-22 18:34:33 UTC

HMDB ID

HMDB0242123

Secondary Accession Numbers

None

Metabolite Identification

Common Name

2-(Carbamoylamino)propanoic acid

Description

2-(Carbamoylamino)propanoic acid belongs to the class of organic compounds known as n-carbamoyl-alpha amino acids. N-carbamoyl-alpha amino acids are compounds containing an alpha amino acid which bears an carbamoyl group at its terminal nitrogen atom. Based on a literature review a significant number of articles have been published on 2-(Carbamoylamino)propanoic acid.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
2-(Carbamoylamino)propanoate	Generator

Chemical Formula

C₄H₈N₂O₃

Average Molecular Weight

132.119

Monoisotopic Molecular Weight

132.053492126

IUPAC Name

2-(carbamoylamino)propanoic acid

Traditional Name

N-carbamoyl-alanine

CAS Registry Number

Not Available

SMILES

CC(NC(N)=O)C(O)=O

InChI Identifier

InChI=1S/C4H8N2O3/c1-2(3(7)8)6-4(5)9/h2H,1H3,(H,7,8)(H3,5,6,9)

InChI Key

LUSWEUMSEVLFEQ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-carbamoyl-alpha amino acids. N-carbamoyl-alpha amino acids are compounds containing an alpha amino acid which bears an carbamoyl group at its terminal nitrogen atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

N-carbamoyl-alpha amino acids

Alternative Parents

Substituents

N-carbamoyl-alpha-amino acid
Alanine or derivatives
Urea
Carbonic acid derivative
Monocarboxylic acid or derivatives
Carboxylic acid
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Not Available

Not Available

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-1.2	ALOGPS
logP	-1.1	ChemAxon
logS	-0.35	ALOGPS
pKa (Strongest Acidic)	3.77	ChemAxon
pKa (Strongest Basic)	-2.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	92.42 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	28.62 m³·mol⁻¹	ChemAxon
Polarizability	11.87 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	123.209	30932474
DeepCCS	[M-H]-	120.399	30932474
DeepCCS	[M-2H]-	156.857	30932474
DeepCCS	[M+Na]+	131.659	30932474
AllCCS	[M+H]+	131.9	32859911
AllCCS	[M+H-H2O]+	127.8	32859911
AllCCS	[M+NH4]+	135.7	32859911
AllCCS	[M+Na]+	136.8	32859911
AllCCS	[M-H]-	124.7	32859911
AllCCS	[M+Na-2H]-	127.5	32859911
AllCCS	[M+HCOO]-	130.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
2-(Carbamoylamino)propanoic acid	CC(NC(N)=O)C(O)=O	2290.3	Standard polar	33892256
2-(Carbamoylamino)propanoic acid	CC(NC(N)=O)C(O)=O	1234.2	Standard non polar	33892256
2-(Carbamoylamino)propanoic acid	CC(NC(N)=O)C(O)=O	1623.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
2-(Carbamoylamino)propanoic acid,2TMS,isomer #1	CC(NC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	1556.7	Semi standard non polar	33892256
2-(Carbamoylamino)propanoic acid,2TMS,isomer #1	CC(NC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	1422.3	Standard non polar	33892256
2-(Carbamoylamino)propanoic acid,2TMS,isomer #1	CC(NC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2065.6	Standard polar	33892256
2-(Carbamoylamino)propanoic acid,2TMS,isomer #2	CC(C(=O)O[Si](C)(C)C)N(C(N)=O)[Si](C)(C)C	1448.3	Semi standard non polar	33892256
2-(Carbamoylamino)propanoic acid,2TMS,isomer #2	CC(C(=O)O[Si](C)(C)C)N(C(N)=O)[Si](C)(C)C	1406.4	Standard non polar	33892256
2-(Carbamoylamino)propanoic acid,2TMS,isomer #2	CC(C(=O)O[Si](C)(C)C)N(C(N)=O)[Si](C)(C)C	2140.4	Standard polar	33892256
2-(Carbamoylamino)propanoic acid,2TMS,isomer #3	CC(C(=O)O)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	1548.0	Semi standard non polar	33892256
2-(Carbamoylamino)propanoic acid,2TMS,isomer #3	CC(C(=O)O)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	1443.2	Standard non polar	33892256
2-(Carbamoylamino)propanoic acid,2TMS,isomer #3	CC(C(=O)O)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	2090.7	Standard polar	33892256
2-(Carbamoylamino)propanoic acid,2TMS,isomer #4	CC(NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	1614.5	Semi standard non polar	33892256
2-(Carbamoylamino)propanoic acid,2TMS,isomer #4	CC(NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	1486.2	Standard non polar	33892256
2-(Carbamoylamino)propanoic acid,2TMS,isomer #4	CC(NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2325.1	Standard polar	33892256
2-(Carbamoylamino)propanoic acid,3TMS,isomer #1	CC(C(=O)O[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	1536.6	Semi standard non polar	33892256
2-(Carbamoylamino)propanoic acid,3TMS,isomer #1	CC(C(=O)O[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	1501.5	Standard non polar	33892256
2-(Carbamoylamino)propanoic acid,3TMS,isomer #1	CC(C(=O)O[Si](C)(C)C)N(C(=O)N[Si](C)(C)C)[Si](C)(C)C	1747.9	Standard polar	33892256
2-(Carbamoylamino)propanoic acid,3TMS,isomer #2	CC(NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	1586.1	Semi standard non polar	33892256
2-(Carbamoylamino)propanoic acid,3TMS,isomer #2	CC(NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	1504.4	Standard non polar	33892256
2-(Carbamoylamino)propanoic acid,3TMS,isomer #2	CC(NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	1845.0	Standard polar	33892256
2-(Carbamoylamino)propanoic acid,3TMS,isomer #3	CC(C(=O)O)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1644.4	Semi standard non polar	33892256
2-(Carbamoylamino)propanoic acid,3TMS,isomer #3	CC(C(=O)O)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1590.8	Standard non polar	33892256
2-(Carbamoylamino)propanoic acid,3TMS,isomer #3	CC(C(=O)O)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1876.5	Standard polar	33892256
2-(Carbamoylamino)propanoic acid,4TMS,isomer #1	CC(C(=O)O[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1666.3	Semi standard non polar	33892256
2-(Carbamoylamino)propanoic acid,4TMS,isomer #1	CC(C(=O)O[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1642.0	Standard non polar	33892256
2-(Carbamoylamino)propanoic acid,4TMS,isomer #1	CC(C(=O)O[Si](C)(C)C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1608.4	Standard polar	33892256
2-(Carbamoylamino)propanoic acid,2TBDMS,isomer #1	CC(NC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2006.2	Semi standard non polar	33892256
2-(Carbamoylamino)propanoic acid,2TBDMS,isomer #1	CC(NC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	1793.8	Standard non polar	33892256
2-(Carbamoylamino)propanoic acid,2TBDMS,isomer #1	CC(NC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2136.2	Standard polar	33892256
2-(Carbamoylamino)propanoic acid,2TBDMS,isomer #2	CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(N)=O)[Si](C)(C)C(C)(C)C	1905.1	Semi standard non polar	33892256
2-(Carbamoylamino)propanoic acid,2TBDMS,isomer #2	CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(N)=O)[Si](C)(C)C(C)(C)C	1828.9	Standard non polar	33892256
2-(Carbamoylamino)propanoic acid,2TBDMS,isomer #2	CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(N)=O)[Si](C)(C)C(C)(C)C	2282.1	Standard polar	33892256
2-(Carbamoylamino)propanoic acid,2TBDMS,isomer #3	CC(C(=O)O)N(C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	1993.3	Semi standard non polar	33892256
2-(Carbamoylamino)propanoic acid,2TBDMS,isomer #3	CC(C(=O)O)N(C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	1849.2	Standard non polar	33892256
2-(Carbamoylamino)propanoic acid,2TBDMS,isomer #3	CC(C(=O)O)N(C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2170.9	Standard polar	33892256
2-(Carbamoylamino)propanoic acid,2TBDMS,isomer #4	CC(NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2045.0	Semi standard non polar	33892256
2-(Carbamoylamino)propanoic acid,2TBDMS,isomer #4	CC(NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	1868.6	Standard non polar	33892256
2-(Carbamoylamino)propanoic acid,2TBDMS,isomer #4	CC(NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2264.3	Standard polar	33892256
2-(Carbamoylamino)propanoic acid,3TBDMS,isomer #1	CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2198.5	Semi standard non polar	33892256
2-(Carbamoylamino)propanoic acid,3TBDMS,isomer #1	CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2094.7	Standard non polar	33892256
2-(Carbamoylamino)propanoic acid,3TBDMS,isomer #1	CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2113.7	Standard polar	33892256
2-(Carbamoylamino)propanoic acid,3TBDMS,isomer #2	CC(NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2235.4	Semi standard non polar	33892256
2-(Carbamoylamino)propanoic acid,3TBDMS,isomer #2	CC(NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2110.8	Standard non polar	33892256
2-(Carbamoylamino)propanoic acid,3TBDMS,isomer #2	CC(NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2137.1	Standard polar	33892256
2-(Carbamoylamino)propanoic acid,3TBDMS,isomer #3	CC(C(=O)O)N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2276.0	Semi standard non polar	33892256
2-(Carbamoylamino)propanoic acid,3TBDMS,isomer #3	CC(C(=O)O)N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2180.8	Standard non polar	33892256
2-(Carbamoylamino)propanoic acid,3TBDMS,isomer #3	CC(C(=O)O)N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2174.0	Standard polar	33892256
2-(Carbamoylamino)propanoic acid,4TBDMS,isomer #1	CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2495.5	Semi standard non polar	33892256
2-(Carbamoylamino)propanoic acid,4TBDMS,isomer #1	CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2409.3	Standard non polar	33892256
2-(Carbamoylamino)propanoic acid,4TBDMS,isomer #1	CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2116.6	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(Carbamoylamino)propanoic acid GC-MS (Non-derivatized) - 70eV, Positive	splash10-0006-9000000000-49e36808f64a77594bf1	2021-09-23	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(Carbamoylamino)propanoic acid GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(Carbamoylamino)propanoic acid 10V, Positive-QTOF	splash10-0006-9300000000-5978f3de8d12444e1e72	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(Carbamoylamino)propanoic acid 20V, Positive-QTOF	splash10-00di-9000000000-98d31941e193df1bd521	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(Carbamoylamino)propanoic acid 40V, Positive-QTOF	splash10-0006-9000000000-4f81f2be8e49b74768d8	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(Carbamoylamino)propanoic acid 10V, Negative-QTOF	splash10-000i-9000000000-83875d710aab43e3f3f3	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(Carbamoylamino)propanoic acid 20V, Negative-QTOF	splash10-000i-9000000000-8232134e74b01c2e2b14	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(Carbamoylamino)propanoic acid 40V, Negative-QTOF	splash10-0006-9000000000-27c58558c828b5d30dbc	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood
Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Cancer patients undergoing total body irradiation	31424920	details
Urine	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Cancer patients undergoing total body irradiation	31424920	details

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

377278

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

426409

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Kong SW, Hernandez-Ferrer C: Assessment of coverage for endogenous metabolites and exogenous chemical compounds using an untargeted metabolomics platform. Pac Symp Biocomput. 2020;25:587-598. [PubMed:31797630 ]

Showing metabocard for 2-(Carbamoylamino)propanoic acid (HMDB0242123)

MOL for HMDB0242123 (2-(Carbamoylamino)propanoic acid)

3D MOL for HMDB0242123 (2-(Carbamoylamino)propanoic acid)

3D SDF for HMDB0242123 (2-(Carbamoylamino)propanoic acid)

3D-SDF for HMDB0242123 (2-(Carbamoylamino)propanoic acid)

PDB for HMDB0242123 (2-(Carbamoylamino)propanoic acid)

3D PDB for HMDB0242123 (2-(Carbamoylamino)propanoic acid)

SMILES for HMDB0242123 (2-(Carbamoylamino)propanoic acid)

INCHI for HMDB0242123 (2-(Carbamoylamino)propanoic acid)

Structure for HMDB0242123 (2-(Carbamoylamino)propanoic acid)

3D Structure for HMDB0242123 (2-(Carbamoylamino)propanoic acid)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra