Molecule ID: 9548691

IUPAC Name: (2Z)-2-(acetamidomethylidene)-3-(hydroxymethyl)butanedioate

Description: The molecule is a dicarboxylic acid dianion obtained by removal of a proton from both of the carboxylic acid groups of 3-(acetamidomethylidene)-2-(hydroxymethyl)succinic acid. It derives from a succinate(2-). It is a conjugate base of a 3-(acetamidomethylidene)-2-(hydroxymethyl)succinic acid.

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

SELFIES: [C][C][Branch1][C][O-1][=N][/C][=C][Branch1][=Branch1][\C][=Branch1][C][=O][O-1][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C8H11NO6/c1-4(11)9-2-5(7(12)13)6(3-10)8(14)15/h2,6,10H,3H2,1H3,(H,9,11)(H,12,13)(H,14,15)/p-2/b5-2-

Molecular Properties:
- Polar Surface Area: 130.0 Ų
- LogP: -0.1