Molecule ID: 18977209

IUPAC Name: (Z)-2-aminobut-2-enedioic acid

Description: The molecule is a 2,3-dehydroamino acid resulting from the formal dehydrogenation of the side chain of aspartic acid to introduce a C=C double bond at the 2-3 position.

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

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

InChI: InChI=1S/C4H5NO4/c5-2(4(8)9)1-3(6)7/h1H,5H2,(H,6,7)(H,8,9)/b2-1-

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: -0.4