(3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one

C15H25NO2 — CID 166438548

IUPAC(3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one
SMILESO=C1[C@H](O)[C@H](C2CCCCC2)N1C1CCCCC1
InChIInChI=1S/C15H25NO2/c17-14-13(11-7-3-1-4-8-11)16(15(14)18)12-9-5-2-6-10-12/h11-14,17H,1-10H2/t13-,14+/m0/s1
InChIKeyUVCBLDALFTWICR-UONOGXRCSA-N
MW251.37 g/mol
LogP2.47
Rot. Bonds2

About (3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one

(3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one (PubChem CID 166438548) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one
PubChem CID166438548
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one
SMILESO=C1[C@H](O)[C@H](C2CCCCC2)N1C1CCCCC1
InChIInChI=1S/C15H25NO2/c17-14-13(11-7-3-1-4-8-11)16(15(14)18)12-9-5-2-6-10-12/h11-14,17H,1-10H2/t13-,14+/m0/s1
InChIKeyUVCBLDALFTWICR-UONOGXRCSA-N
XLogP2.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-4-benzyl-1-cyclohexyl-3-hydroxyazetidin-2-one
CID 166439426
3-cyclohexyl-2-cyclopentyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 110457479
(3S,4S)-4-cyclohexyl-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one
CID 11054921
(2R,3S)-1-cyclohexyl-4,5-dioxopyrrolidine-2,3-dicarboxamide
CID 124631707
(3R)-2-cyclohexyl-3-hydroxy-3H-isoindol-1-one
CID 41068708
1-cycloheptyl-3,6-dicyclopropylpiperazine-2,5-dione
CID 82925459
1-cycloheptyl-3-hydroxypiperidin-2-one
CID 117014090
(2S,4R,8S)-1-azatricyclo[6.3.0.02,4]undecan-11-one
CID 102300255
2-cyclohexyl-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione
CID 43558023
(4R)-1-cyclohexyl-4-methylazetidin-2-one
CID 177433299
1-cyclononyl-3,5-di(cyclooctyl)-1,3,5-triazinane-2,4,6-trione
CID 148955013
7-cyclohexyl-2-oxa-7-azabicyclo[3.2.0]heptan-6-one
CID 21464110

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one?
The IUPAC name of (3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one (CID 166438548) is (3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one.
What is the SMILES notation for (3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one?
The canonical SMILES for (3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one is O=C1[C@H](O)[C@H](C2CCCCC2)N1C1CCCCC1.
What is the InChIKey of (3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one?
The InChIKey is UVCBLDALFTWICR-UONOGXRCSA-N. The full InChI is InChI=1S/C15H25NO2/c17-14-13(11-7-3-1-4-8-11)16(15(14)18)12-9-5-2-6-10-12/h11-14,17H,1-10H2/t13-,14+/m0/s1.
What are the key properties of (3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one?
(3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one has a molecular weight of 251.37 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one is sourced from PubChem (CID 166438548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).