(2R)-3-nitrobutan-2-ol

C4H9NO3 — CID 57132293

IUPAC(2R)-3-nitrobutan-2-ol
SMILESCC([C@@H](C)O)[N+](=O)[O-]
InChIInChI=1S/C4H9NO3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3/t3?,4-/m1/s1
InChIKeyOJVOGABFNZDOOZ-SRBOSORUSA-N
MW119.12 g/mol
LogP0.03
Rot. Bonds2

About (2R)-3-nitrobutan-2-ol

(2R)-3-nitrobutan-2-ol (PubChem CID 57132293) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is (2R)-3-nitrobutan-2-ol.

Molecular Properties

Compound Name(2R)-3-nitrobutan-2-ol
PubChem CID57132293
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name(2R)-3-nitrobutan-2-ol
SMILESCC([C@@H](C)O)[N+](=O)[O-]
InChIInChI=1S/C4H9NO3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3/t3?,4-/m1/s1
InChIKeyOJVOGABFNZDOOZ-SRBOSORUSA-N
XLogP0.03
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 88789428
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magnesium;propan-2-ol;dinitrate
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2-methyl-3-nitrobutane
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2-hydroxy-3-nitrobutanoic acid
CID 55299089
(2R)-3-nitropentan-2-ol
CID 57147135
sodium;propane-1,2-diol;nitrate
CID 174898627
propane-1,2-diol;yttrium(3+);trinitrate
CID 172735884
[(2S,3S)-3-hydroxybutan-2-yl] nitrate
CID 131435010
(3S)-2-fluoro-3-nitrobutane
CID 126762385
1-aminoethanol;bis(nitric acid)
CID 173099484
(3R)-2-nitroheptan-3-ol
CID 57225952

Frequently Asked Questions

What is the IUPAC name of (2R)-3-nitrobutan-2-ol?
The IUPAC name of (2R)-3-nitrobutan-2-ol (CID 57132293) is (2R)-3-nitrobutan-2-ol.
What is the SMILES notation for (2R)-3-nitrobutan-2-ol?
The canonical SMILES for (2R)-3-nitrobutan-2-ol is CC([C@@H](C)O)[N+](=O)[O-].
What is the InChIKey of (2R)-3-nitrobutan-2-ol?
The InChIKey is OJVOGABFNZDOOZ-SRBOSORUSA-N. The full InChI is InChI=1S/C4H9NO3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3/t3?,4-/m1/s1.
What are the key properties of (2R)-3-nitrobutan-2-ol?
(2R)-3-nitrobutan-2-ol has a molecular weight of 119.12 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-nitrobutan-2-ol is sourced from PubChem (CID 57132293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).