2,2-di(cyclobutyl)-1-(3-hydroxy-3-methylazetidin-1-yl)ethanone

C14H23NO2 — CID 112745047

IUPAC2,2-di(cyclobutyl)-1-(3-hydroxy-3-methylazetidin-1-yl)ethanone
SMILESCC1(O)CN(C(=O)C(C2CCC2)C2CCC2)C1
InChIInChI=1S/C14H23NO2/c1-14(17)8-15(9-14)13(16)12(10-4-2-5-10)11-6-3-7-11/h10-12,17H,2-9H2,1H3
InChIKeyULBYYCYOJNYZNK-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.80
Rot. Bonds3

About 2,2-di(cyclobutyl)-1-(3-hydroxy-3-methylazetidin-1-yl)ethanone

2,2-di(cyclobutyl)-1-(3-hydroxy-3-methylazetidin-1-yl)ethanone (PubChem CID 112745047) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2,2-di(cyclobutyl)-1-(3-hydroxy-3-methylazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2-di(cyclobutyl)-1-(3-hydroxy-3-methylazetidin-1-yl)ethanone
PubChem CID112745047
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2,2-di(cyclobutyl)-1-(3-hydroxy-3-methylazetidin-1-yl)ethanone
SMILESCC1(O)CN(C(=O)C(C2CCC2)C2CCC2)C1
InChIInChI=1S/C14H23NO2/c1-14(17)8-15(9-14)13(16)12(10-4-2-5-10)11-6-3-7-11/h10-12,17H,2-9H2,1H3
InChIKeyULBYYCYOJNYZNK-UHFFFAOYSA-N
XLogP1.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-2-methylpropan-1-one
CID 107219264
2-cyclopropyl-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103727494
N-cyclobutyl-3-hydroxy-3-methylpiperidine-1-carboxamide
CID 115872270
(3-hydroxy-3-methylazetidin-1-yl)-[3-(methylamino)cyclobutyl]methanone
CID 164651387
4-amino-5-(3-hydroxy-3-methylazetidin-1-yl)-5-oxopentanoic acid
CID 107219249
6-(2,2-dicyclopropylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514832
(2S)-2-amino-2-cyclopentyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone
CID 87844260
azetidin-3-yl-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107219278
CID 163574287
CID 163574287
2-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 107214527
2-amino-2-cyclohexyl-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 176578739
2-chloro-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103881681

Frequently Asked Questions

What is the IUPAC name of 2,2-di(cyclobutyl)-1-(3-hydroxy-3-methylazetidin-1-yl)ethanone?
The IUPAC name of 2,2-di(cyclobutyl)-1-(3-hydroxy-3-methylazetidin-1-yl)ethanone (CID 112745047) is 2,2-di(cyclobutyl)-1-(3-hydroxy-3-methylazetidin-1-yl)ethanone.
What is the SMILES notation for 2,2-di(cyclobutyl)-1-(3-hydroxy-3-methylazetidin-1-yl)ethanone?
The canonical SMILES for 2,2-di(cyclobutyl)-1-(3-hydroxy-3-methylazetidin-1-yl)ethanone is CC1(O)CN(C(=O)C(C2CCC2)C2CCC2)C1.
What is the InChIKey of 2,2-di(cyclobutyl)-1-(3-hydroxy-3-methylazetidin-1-yl)ethanone?
The InChIKey is ULBYYCYOJNYZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-14(17)8-15(9-14)13(16)12(10-4-2-5-10)11-6-3-7-11/h10-12,17H,2-9H2,1H3.
What are the key properties of 2,2-di(cyclobutyl)-1-(3-hydroxy-3-methylazetidin-1-yl)ethanone?
2,2-di(cyclobutyl)-1-(3-hydroxy-3-methylazetidin-1-yl)ethanone has a molecular weight of 237.34 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(cyclobutyl)-1-(3-hydroxy-3-methylazetidin-1-yl)ethanone is sourced from PubChem (CID 112745047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).