(3R,4S)-1-cyclohexyl-3-hydroxy-4-propan-2-ylazetidin-2-one

C12H21NO2 — CID 166436788

IUPAC(3R,4S)-1-cyclohexyl-3-hydroxy-4-propan-2-ylazetidin-2-one
SMILESCC(C)[C@H]1[C@@H](O)C(=O)N1C1CCCCC1
InChIInChI=1S/C12H21NO2/c1-8(2)10-11(14)12(15)13(10)9-6-4-3-5-7-9/h8-11,14H,3-7H2,1-2H3/t10-,11+/m0/s1
InChIKeyXAYWHIJIPKOMJX-WDEREUQCSA-N
MW211.30 g/mol
LogP1.55
Rot. Bonds2

About (3R,4S)-1-cyclohexyl-3-hydroxy-4-propan-2-ylazetidin-2-one

(3R,4S)-1-cyclohexyl-3-hydroxy-4-propan-2-ylazetidin-2-one (PubChem CID 166436788) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (3R,4S)-1-cyclohexyl-3-hydroxy-4-propan-2-ylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-cyclohexyl-3-hydroxy-4-propan-2-ylazetidin-2-one
PubChem CID166436788
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(3R,4S)-1-cyclohexyl-3-hydroxy-4-propan-2-ylazetidin-2-one
SMILESCC(C)[C@H]1[C@@H](O)C(=O)N1C1CCCCC1
InChIInChI=1S/C12H21NO2/c1-8(2)10-11(14)12(15)13(10)9-6-4-3-5-7-9/h8-11,14H,3-7H2,1-2H3/t10-,11+/m0/s1
InChIKeyXAYWHIJIPKOMJX-WDEREUQCSA-N
XLogP1.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-cyclohexyl-3-hydroxy-4-propan-2-ylazetidin-2-one?
The IUPAC name of (3R,4S)-1-cyclohexyl-3-hydroxy-4-propan-2-ylazetidin-2-one (CID 166436788) is (3R,4S)-1-cyclohexyl-3-hydroxy-4-propan-2-ylazetidin-2-one.
What is the SMILES notation for (3R,4S)-1-cyclohexyl-3-hydroxy-4-propan-2-ylazetidin-2-one?
The canonical SMILES for (3R,4S)-1-cyclohexyl-3-hydroxy-4-propan-2-ylazetidin-2-one is CC(C)[C@H]1[C@@H](O)C(=O)N1C1CCCCC1.
What is the InChIKey of (3R,4S)-1-cyclohexyl-3-hydroxy-4-propan-2-ylazetidin-2-one?
The InChIKey is XAYWHIJIPKOMJX-WDEREUQCSA-N. The full InChI is InChI=1S/C12H21NO2/c1-8(2)10-11(14)12(15)13(10)9-6-4-3-5-7-9/h8-11,14H,3-7H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of (3R,4S)-1-cyclohexyl-3-hydroxy-4-propan-2-ylazetidin-2-one?
(3R,4S)-1-cyclohexyl-3-hydroxy-4-propan-2-ylazetidin-2-one has a molecular weight of 211.30 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-cyclohexyl-3-hydroxy-4-propan-2-ylazetidin-2-one is sourced from PubChem (CID 166436788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).