bmse000157 N-Acetyl-L-alanine at BMRB

N-Acetyl-L-alanine
bmse000157 - data
bmst000201 - theory

N-Acetyl-L-alanine

N-Acetyl-S-alanine; 2-Acetamidopropionic acid; Acetylalanine; L-Alanine, N-acetyl- (9CI); N-ACETYLALANINE; Alanine, N-acetyl-, L- (8CI)

Molecular Formula: C5 H9 N O3
Natural Isotopic Abundance Mass: 131.1298600000
Mono-Isotopic Molecular Masses: C12N14: 131.05824316; C13N14: 136.075017349; C12N15: 132.055278054; C13N15: 137.0720522426

N-Acetyl-L-alanine

InCHi String:
InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)

isomeric and canonical SMILES:
CC(C(=O)O)NC(=O)C

IUPAC: IUPAC traditional: IUPAC cas: IUPAC openeye: IUPAC systematic
2-acetamidopropanoic acid

PubChem Substance (SID):   85164983   150408
PubChem Compound (CID):   7345
KEGG: Compound ID   n/a
CAS Registry IDs:   97-69-8
PDB Chemical Component   AYA
Miscellaneous Databases and IDs:   EINECS 202-602-0   NSC 186892

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.