Molecule ID: 5280533

IUPAC Name: (Z)-2-propan-2-ylbut-2-enedioic acid

Description: The molecule is the 2-isopropyl derivative of maleic acid. It has a role as an Escherichia coli metabolite. It derives from a maleic acid. It is a conjugate acid of a 2-isopropylmaleate(2-).

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

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

InChI: InChI=1S/C7H10O4/c1-4(2)5(7(10)11)3-6(8)9/h3-4H,1-2H3,(H,8,9)(H,10,11)/b5-3-

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: 0.7