3-Nitropropionic acid (3-NP)

CAT: 1568-C09492-02Size: 1 gDry Ice: YesHazardous: No

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CAT#:1568-C09492-02Size:1 g

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CAS Number

504-88-1

Synonyms

β-Nitropropionic Acid

SKU

C09492-25mg

Target

Dehydrogenase

Applications

Metabolism

Molecular Formula

C3H5NO4

Additionnal Information

3-Nitropropionic acid (3-NP) is an irreversible inhibitor of mitochondrial respiratory Complex II succinate dehydrogenase, resulting in energy depletion through disruption of the electron transport chain.

Storage Conditions

2 years -80 in solvent

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3-nitropropanoic acid is a C-nitro compound that is propanoic acid in which one of the methyl hydrogens has been replaced by a nitro group.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 Number	504-88-1
PubChem CID	1678
IUPAC Name	3-nitropropanoic acid
Molecular Formula	C3H5NO4
Molecular Weight	119.08
XLogP	-0.5
Topological Polar Surface Area	83.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	104

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

CAS: 504-88-1

CID: 1678

Formula: C3H5NO4

MW: 119.08

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	119.08
XLogP3	-0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	119.02185764
Monoisotopic Mass	119.02185764
Topological Polar Surface Area	83.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	104
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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3-Nitropropionic acid (3-NP)

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