Molecule ID: 88064

IUPAC Name: (2S)-2-acetamidopropanoic acid

Description: The molecule is an N-acetyl-L-amino acid that is L-alanine in which one of the hydrogens attached to the nitrogen is replaced by an acetyl group. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a L-alanine derivative and a N-acetyl-L-amino acid. It is a conjugate acid of a N-acetyl-L-alaninate.

SMILES: CC(O)=N[C@@H](C)C(=O)O

SELFIES: [C][C][Branch1][C][O][=N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1

Molecular Properties:
- Polar Surface Area: 66.4 Ų
- LogP: -0.9