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

C16H21NO2 — CID 166439426

IUPAC(3R,4S)-4-benzyl-1-cyclohexyl-3-hydroxyazetidin-2-one
SMILESO=C1[C@H](O)[C@H](Cc2ccccc2)N1C1CCCCC1
InChIInChI=1S/C16H21NO2/c18-15-14(11-12-7-3-1-4-8-12)17(16(15)19)13-9-5-2-6-10-13/h1,3-4,7-8,13-15,18H,2,5-6,9-11H2/t14-,15+/m0/s1
InChIKeyRWIXRLYOYIHWDD-LSDHHAIUSA-N
MW259.35 g/mol
LogP2.13
Rot. Bonds3

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

(3R,4S)-4-benzyl-1-cyclohexyl-3-hydroxyazetidin-2-one (PubChem CID 166439426) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (3R,4S)-4-benzyl-1-cyclohexyl-3-hydroxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-benzyl-1-cyclohexyl-3-hydroxyazetidin-2-one
PubChem CID166439426
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(3R,4S)-4-benzyl-1-cyclohexyl-3-hydroxyazetidin-2-one
SMILESO=C1[C@H](O)[C@H](Cc2ccccc2)N1C1CCCCC1
InChIInChI=1S/C16H21NO2/c18-15-14(11-12-7-3-1-4-8-12)17(16(15)19)13-9-5-2-6-10-13/h1,3-4,7-8,13-15,18H,2,5-6,9-11H2/t14-,15+/m0/s1
InChIKeyRWIXRLYOYIHWDD-LSDHHAIUSA-N
XLogP2.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-benzyl-1-cyclohexylpyrrolidin-2-one
CID 129365070
3-benzyl-1-cyclopentyl-6-methylpiperazine-2,5-dione
CID 64958470
(4R,5S,6S,7R)-4,7-dibenzyl-1-(cyclopentylmethyl)-3-(cyclopropylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one
CID 5327218
(2R,3R,6S,7R,8R,9aS)-2,3,8-trihydroxy-6-(hydroxymethyl)-7-phenylmethoxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 101473210
(3S,4S)-1-benzyl-3-[(R)-cyclohexyl(hydroxy)methyl]-4-hydroxypyrrolidine-2,5-dione
CID 135009180
(3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one
CID 166438548
1-cyclohexyl-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one
CID 11695680
9-benzyl-1-azabicyclo[3.3.1]nonan-2-ol
CID 23448444
benzylbenzene;1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;ethane
CID 167545184
(2S,8S)-2-benzyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 11171933
6-benzyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 86151500
5-benzyl-3-cyclobutyl-2-propylimidazolidin-4-one
CID 83255145

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-benzyl-1-cyclohexyl-3-hydroxyazetidin-2-one?
The IUPAC name of (3R,4S)-4-benzyl-1-cyclohexyl-3-hydroxyazetidin-2-one (CID 166439426) is (3R,4S)-4-benzyl-1-cyclohexyl-3-hydroxyazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-benzyl-1-cyclohexyl-3-hydroxyazetidin-2-one?
The canonical SMILES for (3R,4S)-4-benzyl-1-cyclohexyl-3-hydroxyazetidin-2-one is O=C1[C@H](O)[C@H](Cc2ccccc2)N1C1CCCCC1.
What is the InChIKey of (3R,4S)-4-benzyl-1-cyclohexyl-3-hydroxyazetidin-2-one?
The InChIKey is RWIXRLYOYIHWDD-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H21NO2/c18-15-14(11-12-7-3-1-4-8-12)17(16(15)19)13-9-5-2-6-10-13/h1,3-4,7-8,13-15,18H,2,5-6,9-11H2/t14-,15+/m0/s1.
What are the key properties of (3R,4S)-4-benzyl-1-cyclohexyl-3-hydroxyazetidin-2-one?
(3R,4S)-4-benzyl-1-cyclohexyl-3-hydroxyazetidin-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-benzyl-1-cyclohexyl-3-hydroxyazetidin-2-one is sourced from PubChem (CID 166439426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).