Molecule ID: 5280716

IUPAC Name: (2Z)-2-(acetamidomethylidene)-3-(hydroxymethyl)butanedioic acid

Description: The molecule is a dicarboxylic acid that is succinic acid substituted at position 2 by an acetamidomethylidene group and at position 3 by a hydroxymethyl group. It is a dicarboxylic acid, a primary alcohol and a 3-hydroxy carboxylic acid. It derives from a succinic acid. It is a conjugate acid of a 3-(acetamidomethylene)-2-(hydroxymethyl)succinate(2-).

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

SELFIES: [C][C][Branch1][C][O][=N][/C][=C][Branch1][=Branch1][\C][=Branch1][C][=O][O][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)/b5-2-

Molecular Properties:
- Polar Surface Area: 124.0 Ų
- LogP: -1.4