Molecular Identity
3-nitropropionic acid
3-nitropropanoic acid
PubChem CID: 1678
3-nitropropanoic acid is a C-nitro compound that is propanoic acid in which one of the methyl hydrogens has been replaced by a nitro group.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 mycotoxin, a neurotoxin, an antimycobacterial drug and an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor. It is functionally related to a propionic acid. It is a conjugate acid of a 3-nitropropanoate. It is a tautomer of a 3-aci-nitropropanoic acid.
2D Structure
Properties
C3H5NO4
Molecular Formula
119.08
Molecular Weight
g/mol
119.0219
Exact Mass
Da
-0.5
XLogP
Drug-like (Lipinski: < 5)
83.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
104
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
3-nitropropionic acid3-Nitropropanoic acid504-88-1BovinocidinHiptagenic acidbeta-Nitropropionic acidPropanoic acid, 3-nitro-Propionic acid, 3-nitro-beta-Nitropropanoic acid3-NP acidNCI-C03076NSC 64266NITROPROPIONIC ACID, BETADTXSID1020982QY4L0FOX0D
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 3-nitropropionic acid
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