Molecule ID: 21158439

IUPAC Name: (2Z)-2-(acetamidomethylidene)butanedioate

Description: The molecule is dicarboxylate anion of 2-(acetamidomethylidene)succinic acid; major species at pH 7.3. It is a conjugate base of a 2-(acetamidomethylidene)succinic acid.

SMILES: CC([O-])=N/C=C(/CC(=O)[O-])C(=O)O

SELFIES: [C][C][Branch1][C][O-1][=N][/C][=C][Branch1][#Branch1][/C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C7H9NO5/c1-4(9)8-3-5(7(12)13)2-6(10)11/h3H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/p-2/b5-3-

Molecular Properties:
- Polar Surface Area: 109.0 Ų
- LogP: 0.5