Molecule ID: 5281931

IUPAC Name: (E)-3-methoxycarbonylpent-2-enedioic acid

Description: The molecule is the 2-(methoxycarbonyl) derivative of (Z)-glutaconic acid. It has a role as an Escherichia coli metabolite. It is a dicarboxylic acid and a methyl ester. It derives from a (Z)-glutaconic acid. It is a conjugate acid of a (2E)-3-(methoxycarbonyl)pent-2-enedioate(2-).

SMILES: COC(=O)/C(=C/C(=O)O)CC(=O)O

SELFIES: [C][O][C][=Branch1][C][=O][/C][=Branch1][#Branch1][=C][/C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C7H8O6/c1-13-7(12)4(2-5(8)9)3-6(10)11/h2H,3H2,1H3,(H,8,9)(H,10,11)/b4-2+

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: -0.6