Molecule ID: 136351786

IUPAC Name: (E,2Z)-2-[amino(carboxy)methylidene]-5-oxopent-3-enoate

Description: The molecule is a dicarboxylic acid monoanion that is the conjugate base of 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid and the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid. It is a conjugate acid of a 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate.

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

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

InChI: InChI=1S/C7H7NO5/c8-5(7(12)13)4(6(10)11)2-1-3-9/h1-3H,8H2,(H,10,11)(H,12,13)/p-1/b2-1+,5-4-

Molecular Properties:
- Polar Surface Area: 121.0 Ų
- LogP: 0.2