Molecule ID: 6971051

IUPAC Name: (2S)-3-acetyloxy-2-azaniumylpropanoate

Description: The molecule is an amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of O-acetyl-L-serine; major species at pH 7.3. It is a tautomer of an O-acetyl-L-serine.

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: 94.1 Ų
- LogP: -2.8