2,2-dinitrosobutanoic acid

C4H6N2O4 — CID 174874175

IUPAC2,2-dinitrosobutanoic acid
SMILESCCC(N=O)(N=O)C(=O)O
InChIInChI=1S/C4H6N2O4/c1-2-4(5-9,6-10)3(7)8/h2H2,1H3,(H,7,8)
InChIKeyLDVUPYWYAZDEKR-UHFFFAOYSA-N
MW146.10 g/mol
LogP0.71
Rot. Bonds4

About 2,2-dinitrosobutanoic acid

2,2-dinitrosobutanoic acid (PubChem CID 174874175) has the molecular formula C4H6N2O4 and a molecular weight of 146.10 g/mol. Its IUPAC name is 2,2-dinitrosobutanoic acid.

Molecular Properties

Compound Name2,2-dinitrosobutanoic acid
PubChem CID174874175
Molecular FormulaC4H6N2O4
Molecular Weight146.10 g/mol
Exact Mass146.03
IUPAC Name2,2-dinitrosobutanoic acid
SMILESCCC(N=O)(N=O)C(=O)O
InChIInChI=1S/C4H6N2O4/c1-2-4(5-9,6-10)3(7)8/h2H2,1H3,(H,7,8)
InChIKeyLDVUPYWYAZDEKR-UHFFFAOYSA-N
XLogP0.71
TPSA96.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.10
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

azane;2,2-diethylbutanoic acid
CID 173369262
acetic acid;2,2-diethylbutanoic acid
CID 162011618
2,2,3,3-tetraethylbutanedioic acid
CID 23424098
2,2-dimethylbutanoic acid;methane
CID 159782886
magnesium;2,2-diethylpropanedioic acid;hydride
CID 173359738
2-hydroxy-2-phosphonobutanoic acid
CID 22117039
acetonitrile;azane;2,2-diethylbutanoic acid
CID 175092493
(2S)-2-amino-2-methylbutanoic acid
CID 6971276
4,4-diethylheptane-2,2,4,4-tetracarboxylic acid
CID 54357900
bis(2-ethyl-2-hydroxybutanoic acid);oxochromium
CID 10991103
carbanide;2,2-dimethylbutanoic acid;yttrium
CID 58937622
2-(3-carboxypentan-3-ylperoxy)-2-ethylbutanoic acid
CID 141153642

Frequently Asked Questions

What is the IUPAC name of 2,2-dinitrosobutanoic acid?
The IUPAC name of 2,2-dinitrosobutanoic acid (CID 174874175) is 2,2-dinitrosobutanoic acid.
What is the SMILES notation for 2,2-dinitrosobutanoic acid?
The canonical SMILES for 2,2-dinitrosobutanoic acid is CCC(N=O)(N=O)C(=O)O.
What is the InChIKey of 2,2-dinitrosobutanoic acid?
The InChIKey is LDVUPYWYAZDEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O4/c1-2-4(5-9,6-10)3(7)8/h2H2,1H3,(H,7,8).
What are the key properties of 2,2-dinitrosobutanoic acid?
2,2-dinitrosobutanoic acid has a molecular weight of 146.10 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dinitrosobutanoic acid is sourced from PubChem (CID 174874175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).