3-(hydroxyamino)-2,2-dimethylcyclobutan-1-ol

C6H13NO2 — CID 112634236

IUPAC3-(hydroxyamino)-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1NO
InChIInChI=1S/C6H13NO2/c1-6(2)4(7-9)3-5(6)8/h4-5,7-9H,3H2,1-2H3
InChIKeyUIOLZKWFFXCHHY-UHFFFAOYSA-N
MW131.17 g/mol
LogP0.12
Rot. Bonds1

About 3-(hydroxyamino)-2,2-dimethylcyclobutan-1-ol

3-(hydroxyamino)-2,2-dimethylcyclobutan-1-ol (PubChem CID 112634236) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is 3-(hydroxyamino)-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(hydroxyamino)-2,2-dimethylcyclobutan-1-ol
PubChem CID112634236
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name3-(hydroxyamino)-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1NO
InChIInChI=1S/C6H13NO2/c1-6(2)4(7-9)3-5(6)8/h4-5,7-9H,3H2,1-2H3
InChIKeyUIOLZKWFFXCHHY-UHFFFAOYSA-N
XLogP0.12
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Cyclobutanol, 3-amino-2,2,4,4-tetramethyl-
CID 203376
3-Amino-2,2-dimethylcyclobutan-1-ol hydrochloride
CID 75481528
3-Amino-2,2-dimethylcyclobutanol
CID 75481529
Cyclobutanol, 3-amino-2,2-dimethyl-, hydrochloride (1:1), (1R,3S)-rel-
CID 91663854
2,2-Dimethyl-3-(2,2,2-trifluoroethoxyamino)cyclobutan-1-ol
CID 112634243
(2-Amino-1-methylcyclobutyl)methanol
CID 165881031
(1S,3R)-3-Amino-2,2-dimethylcyclobutan-1-ol
CID 97300410
trans-3-Amino-2,2-dimethyl-cyclobutanol
CID 97300411
(1S,3R)-3-Amino-2,2-dimethylcyclobutan-1-ol hydrochloride
CID 126970325
(1S,3S)-3-amino-2,2-dimethyl-cyclobutanol;hydrochloride
CID 135905358
(4-Tert-butyloxazetidin-3-yl)methanol
CID 144219213
3-Amino-2,4-dimethylcyclobutan-1-ol
CID 148483940

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxyamino)-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-(hydroxyamino)-2,2-dimethylcyclobutan-1-ol (CID 112634236) is 3-(hydroxyamino)-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-(hydroxyamino)-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-(hydroxyamino)-2,2-dimethylcyclobutan-1-ol is CC1(C)C(O)CC1NO.
What is the InChIKey of 3-(hydroxyamino)-2,2-dimethylcyclobutan-1-ol?
The InChIKey is UIOLZKWFFXCHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-6(2)4(7-9)3-5(6)8/h4-5,7-9H,3H2,1-2H3.
What are the key properties of 3-(hydroxyamino)-2,2-dimethylcyclobutan-1-ol?
3-(hydroxyamino)-2,2-dimethylcyclobutan-1-ol has a molecular weight of 131.17 g/mol, XLogP of 0.12, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxyamino)-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 112634236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).