CHEBI:16682 - N-acetyl-β-alanine

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ChEBI Name N-acetyl-β-alanine
ChEBI ID CHEBI:16682
ChEBI ASCII Name N-acetyl-beta-alanine
Definition The N-acetyl derivative of β-alanine.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:7186, CHEBI:12449, CHEBI:21599
Supplier Information
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Formula C5H9NO3
Net Charge 0
Average Mass 131.12990
Monoisotopic Mass 131.05824
InChI InChI=1S/C5H9NO3/c1-4(7)6-3-2-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)
InChIKey LJLLAWRMBZNPMO-UHFFFAOYSA-N
SMILES CC(=O)NCCC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-acetyl-β-alanine (CHEBI:16682) is a β-alanine derivative (CHEBI:22823)
N-acetyl-β-alanine (CHEBI:16682) is a N-acetyl-amino acid (CHEBI:21575)
N-acetyl-β-alanine (CHEBI:16682) is conjugate acid of N-acetyl-β-alaninate (CHEBI:57857)
Incoming N-acetyl-β-alaninate (CHEBI:57857) is conjugate base of N-acetyl-β-alanine (CHEBI:16682)
IUPAC Name
3-acetamidopropanoic acid
Synonyms Sources
3-(acetylamino)propanoic acid IUPAC
N-Acetyl-beta-alanine KEGG COMPOUND
Manual Xrefs Databases
C01073 KEGG COMPOUND
CPD-580 MetaCyc
View more database links
Registry Numbers Types Sources
1317687 Gmelin Registry Number Gmelin
1704093 Reaxys Registry Number Reaxys
3025-95-4 CAS Registry Number KEGG COMPOUND
3025-95-4 CAS Registry Number ChemIDplus
Last Modified
23 October 2015