3-Ureidopropionic acid

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Systematic / IUPAC Name: 3-(Carbamoylamino)propanoic acid

ID: Reference221

Other Names: Ureidopropionic acid;
β-Ureidopropionic acid;
N-(Aminocarbonyl)-β-alanine;
3-[(Aminocarbonyl)amino]propanoic acid;
β-Alanine, N-(aminocarbonyl)- ; more

Formula: C4H8N2O3

Class: Endogenous Metabolites

Spectral Data

3-Ureidopropionic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 2
No. of Spectra 227
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 11/21/2014 10:59:32 AM
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Identificators

InChI InChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)
InChI Key JSJWCHRYRHKBBW-UHFFFAOYSA-N
Canonical SMILES C(CNC(=O)N)C(=O)O
CAS 462884
Splash
Other Names Ureidopropionic acid;
β-Ureidopropionic acid;
N-(Aminocarbonyl)-β-alanine;
3-[(Aminocarbonyl)amino]propanoic acid;
β-Alanine, N-(aminocarbonyl)-;
N-Carbamoyl-β-alanine;
3-Ureidopropionate;
3-Ureidopropanoic acid;
Ureidopropionate;
β-Ureidopropionate;
N-Carbamyl-β-alanine;
Propanoic acid, 3-ureido-

In Other Databases

ChEMBL CHEMBL20962
Wikipedia 3-Ureidopropionic acid
HMDb HMDB00026
PubChem 111
KEGG C02642
ChemSpider 109
ChEBI CHEBI:18261
ChemIDPlus 000462884