Molecule ID: 1678

IUPAC Name: 3-nitropropanoic acid

Description: The molecule is a C-nitro compound that is propanoic acid in which one of the methyl hydrogens has been replaced by a nitro group. It has a role as a neurotoxin, an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor, an antimycobacterial drug and a mycotoxin. It derives from a propionic acid. It is a conjugate acid of a 3-nitropropanoate. It is a tautomer of a 3-aci-nitropropanoic acid.

SMILES: O=C(O)CC[N+](=O)[O-]

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

InChI: InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)

Molecular Properties:
- Polar Surface Area: 83.1 Ų
- LogP: -0.5