Molecule ID: 25244888

IUPAC Name: (2S)-4-acetyloxy-2-azaniumylbutanoate

Description: The molecule is zwitterionic form of O-acetyl-L-homoserine having an anionic carboxy group and a protonated alpha-amino group; major species at pH 7.3. It is a tautomer of an O-acetyl-L-homoserine.

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

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

InChI: InChI=1S/C6H11NO4/c1-4(8)11-3-2-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 94.1 Ų
- LogP: -2.5