(3R,4S)-4-tert-butyl-1-cyclohexyl-3-hydroxyazetidin-2-one

C13H23NO2 — CID 166439192

IUPAC(3R,4S)-4-tert-butyl-1-cyclohexyl-3-hydroxyazetidin-2-one
SMILESCC(C)(C)[C@H]1[C@@H](O)C(=O)N1C1CCCCC1
InChIInChI=1S/C13H23NO2/c1-13(2,3)11-10(15)12(16)14(11)9-7-5-4-6-8-9/h9-11,15H,4-8H2,1-3H3/t10-,11-/m1/s1
InChIKeyFQCWRBSCFZMWOA-GHMZBOCLSA-N
MW225.33 g/mol
LogP1.94
Rot. Bonds1

About (3R,4S)-4-tert-butyl-1-cyclohexyl-3-hydroxyazetidin-2-one

(3R,4S)-4-tert-butyl-1-cyclohexyl-3-hydroxyazetidin-2-one (PubChem CID 166439192) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (3R,4S)-4-tert-butyl-1-cyclohexyl-3-hydroxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-tert-butyl-1-cyclohexyl-3-hydroxyazetidin-2-one
PubChem CID166439192
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(3R,4S)-4-tert-butyl-1-cyclohexyl-3-hydroxyazetidin-2-one
SMILESCC(C)(C)[C@H]1[C@@H](O)C(=O)N1C1CCCCC1
InChIInChI=1S/C13H23NO2/c1-13(2,3)11-10(15)12(16)14(11)9-7-5-4-6-8-9/h9-11,15H,4-8H2,1-3H3/t10-,11-/m1/s1
InChIKeyFQCWRBSCFZMWOA-GHMZBOCLSA-N
XLogP1.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-1-cyclohexyl-3-hydroxy-4-propan-2-ylazetidin-2-one
CID 166436788
(3R,4S)-1,4-ditert-butyl-3-hydroxyazetidin-2-one
CID 166438197
(3R,4S)-1-tert-butyl-3-hydroxy-4-propan-2-ylazetidin-2-one
CID 166439550
(2R)-1-(azetidin-1-yl)-2-hydroxy-3-(1-methylcyclopropyl)propan-1-one
CID 22975023
(2R)-1-(azetidin-1-yl)-2-hydroxy-4,4-dimethylpentan-1-one
CID 22975031
(3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propan-2-ylazetidin-2-one
CID 46186032
(3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propylazetidin-2-one
CID 102166145
N-(2-hydroxycyclohexyl)-N,4,4-trimethylpentanamide
CID 114212807

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-tert-butyl-1-cyclohexyl-3-hydroxyazetidin-2-one?
The IUPAC name of (3R,4S)-4-tert-butyl-1-cyclohexyl-3-hydroxyazetidin-2-one (CID 166439192) is (3R,4S)-4-tert-butyl-1-cyclohexyl-3-hydroxyazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-tert-butyl-1-cyclohexyl-3-hydroxyazetidin-2-one?
The canonical SMILES for (3R,4S)-4-tert-butyl-1-cyclohexyl-3-hydroxyazetidin-2-one is CC(C)(C)[C@H]1[C@@H](O)C(=O)N1C1CCCCC1.
What is the InChIKey of (3R,4S)-4-tert-butyl-1-cyclohexyl-3-hydroxyazetidin-2-one?
The InChIKey is FQCWRBSCFZMWOA-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(2,3)11-10(15)12(16)14(11)9-7-5-4-6-8-9/h9-11,15H,4-8H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of (3R,4S)-4-tert-butyl-1-cyclohexyl-3-hydroxyazetidin-2-one?
(3R,4S)-4-tert-butyl-1-cyclohexyl-3-hydroxyazetidin-2-one has a molecular weight of 225.33 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-tert-butyl-1-cyclohexyl-3-hydroxyazetidin-2-one is sourced from PubChem (CID 166439192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).