Molecule ID: 99478

IUPAC Name: (2S)-3-acetyloxy-2-aminopropanoic acid

Description: The molecule is an acetyl-L-serine where the acetyl group is attached to the side-chain oxygen. It is an intermediate in the biosynthesis of the amino acid cysteine in bacteria. It has a role as a bacterial metabolite and a Saccharomyces cerevisiae metabolite. It is an acetate ester and an acetyl-L-serine. It is a tautomer of an O-acetyl-L-serine zwitterion.

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

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

InChI: InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1

Molecular Properties:
- Polar Surface Area: 89.6 Ų
- LogP: -3.5