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

C7H15NO2 — CID 112634239

IUPAC3-(methoxyamino)-2,2-dimethylcyclobutan-1-ol
SMILESCONC1CC(O)C1(C)C
InChIInChI=1S/C7H15NO2/c1-7(2)5(8-10-3)4-6(7)9/h5-6,8-9H,4H2,1-3H3
InChIKeyYHELEGKSRLULDS-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.30
Rot. Bonds2

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

3-(methoxyamino)-2,2-dimethylcyclobutan-1-ol (PubChem CID 112634239) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-(methoxyamino)-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(methoxyamino)-2,2-dimethylcyclobutan-1-ol
PubChem CID112634239
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name3-(methoxyamino)-2,2-dimethylcyclobutan-1-ol
SMILESCONC1CC(O)C1(C)C
InChIInChI=1S/C7H15NO2/c1-7(2)5(8-10-3)4-6(7)9/h5-6,8-9H,4H2,1-3H3
InChIKeyYHELEGKSRLULDS-UHFFFAOYSA-N
XLogP0.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633105
3-(ethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633093
3-(cyclopropylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633086
methyl (2S)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanoate
CID 103948463
3-(1-methoxypropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633134
N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylcyclopropane-1-carboxamide
CID 126973302
3-[(2-hydroxy-3-methoxypropyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 112634064
2,2-dimethyl-3-(4-methylpentan-2-ylamino)cyclobutan-1-ol
CID 112633394
methyl N-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]carbamate
CID 114631654
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propane-1,3-diol
CID 112634110
2-hydroxy-1,1-dimethyl-4-(sulfamoylamino)cyclobutane
CID 114632810
3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopent-2-en-1-one
CID 114630237

Frequently Asked Questions

What is the IUPAC name of 3-(methoxyamino)-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-(methoxyamino)-2,2-dimethylcyclobutan-1-ol (CID 112634239) is 3-(methoxyamino)-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-(methoxyamino)-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-(methoxyamino)-2,2-dimethylcyclobutan-1-ol is CONC1CC(O)C1(C)C.
What is the InChIKey of 3-(methoxyamino)-2,2-dimethylcyclobutan-1-ol?
The InChIKey is YHELEGKSRLULDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-7(2)5(8-10-3)4-6(7)9/h5-6,8-9H,4H2,1-3H3.
What are the key properties of 3-(methoxyamino)-2,2-dimethylcyclobutan-1-ol?
3-(methoxyamino)-2,2-dimethylcyclobutan-1-ol has a molecular weight of 145.20 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxyamino)-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 112634239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).