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3-Nitropropanoic acid

CAT: 0013-GTR19171117-02Size: 50 mgDry Ice: NoHazardous: No
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Description
3-Nitropropanoic acid, also known as Bovinocidin, is an irreversible inhibitor of the mitochondrial enzyme succinate dehydrogenase. It is widely used in research to study mitochondrial dysfunction, energy metabolism, and has been applied in models of neurological disorders both in vitro and in vivo.
CAS Number
504-88-1
Product Name Alternative
Bovinocidin, b-Nitropropionic acid, beta-Nitropropionic acid, Apoptosis, Bacterial, 3Nitropropanoic acid, 3-Nitropropanoic acid, 3-NP, 3-NP acid, 3 Nitropropanoic acid, Dehydrogenase, inhibit, Inhibitor, β-Nitropropionic acid
Field of Research
Cell Biology, Infectious Disease & Virology, Metabolism Research
Purity
98.35% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:4 mg/mL (33.59 mM) ; DMSO:125 mg/mL (1049.71 mM)
Smiles
OC (=O) CC[N+] ([O-]) =O
Molecular Formula
C3H5NO4
Molecular Weight
119.08
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Nitropropionic acid

3-nitropropanoic acid is a C-nitro compound that is propanoic acid in which one of the methyl hydrogens has been replaced by a nitro group.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.

CAS Number504-88-1
PubChem CID1678
IUPAC Name3-nitropropanoic acid
Molecular FormulaC3H5NO4
Molecular Weight119.08
XLogP-0.5
Topological Polar Surface Area83.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity104
SMILES
C(C[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)
InChIKey
WBLZUCOIBUDNBV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Nitropropionic acid
CAS: 504-88-1
CID: 1678
Formula: C3H5NO4
MW: 119.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight119.08
XLogP3-0.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass119.02185764
Monoisotopic Mass119.02185764
Topological Polar Surface Area83.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity104
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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