Molecule ID: 102515364

IUPAC Name: (2S)-2-acetamido-4-[methyl(oxido)phosphoryl]butanoate

Description: The molecule is an N-acetylphosphinatothricinate(2-) obtained by deprotonation of carboxylic acid and phosphinate functions of N-acetyl-L-phosphinothricin; major species at pH 7.3. It is a conjugate base of a N-acetyl-L-phosphinothricin.

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

SELFIES: [C][C][Branch1][C][O-1][=N][C@@H1][Branch1][O][C][C][P][Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)/p-2/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 109.0 Ų
- LogP: -1.2