CHEBI:16682 - N-acetyl-β-alanine

ChEBI IDCHEBI:16682
ChEBI NameN-acetyl-β-alanine
Stars
ASCII NameN-acetyl-beta-alanine
DefinitionThe N-acetyl derivative of β-alanine.
Secondary ChEBI IDsCHEBI:7186, CHEBI:12449, CHEBI:21599
Last Modified23 October 2015
DownloadsMolfile
FormulaC5H9NO3
Net Charge0
Average Mass131.131
Monoisotopic Mass131.05824
SMILESCC(=O)NCCC(=O)O
InChIInChI=1S/C5H9NO3/c1-4(7)6-3-2-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)
InChIKeyLJLLAWRMBZNPMO-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-β-alanine (CHEBI:16682) is a N-acetyl-amino acid (CHEBI:21575)
N-acetyl-β-alanine (CHEBI:16682) is a β-alanine derivative (CHEBI:22823)
N-acetyl-β-alanine (CHEBI:16682) is conjugate acid of N-acetyl-β-alaninate (CHEBI:57857)
Incoming Relation(s)
N-acetyl-β-alaninate (CHEBI:57857) is conjugate base of N-acetyl-β-alanine (CHEBI:16682)
IUPAC Name 
3-acetamidopropanoic acid
Synonyms  Source
N-Acetyl-beta-alanineKEGG COMPOUND
3-(acetylamino)propanoic acidIUPAC
Manual XrefsDatabases
C01073KEGG COMPOUND
CPD-580MetaCyc
Registry NumbersSources
Gmelin:1317687Gmelin
Reaxys:1704093Reaxys
CAS:3025-95-4KEGG COMPOUND
CAS:3025-95-4ChemIDplus