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

C18H19NO2 — CID 15419094

IUPAC(3R,4S)-3-hydroxy-1,4-diphenyl-3-propan-2-ylazetidin-2-one
SMILESCC(C)[C@]1(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C18H19NO2/c1-13(2)18(21)16(14-9-5-3-6-10-14)19(17(18)20)15-11-7-4-8-12-15/h3-13,16,21H,1-2H3/t16-,18+/m0/s1
InChIKeyYVUMWOYWTBDUCV-FUHWJXTLSA-N
MW281.36 g/mol
LogP3.16
Rot. Bonds3

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

(3R,4S)-3-hydroxy-1,4-diphenyl-3-propan-2-ylazetidin-2-one (PubChem CID 15419094) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (3R,4S)-3-hydroxy-1,4-diphenyl-3-propan-2-ylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-hydroxy-1,4-diphenyl-3-propan-2-ylazetidin-2-one
PubChem CID15419094
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(3R,4S)-3-hydroxy-1,4-diphenyl-3-propan-2-ylazetidin-2-one
SMILESCC(C)[C@]1(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C18H19NO2/c1-13(2)18(21)16(14-9-5-3-6-10-14)19(17(18)20)15-11-7-4-8-12-15/h3-13,16,21H,1-2H3/t16-,18+/m0/s1
InChIKeyYVUMWOYWTBDUCV-FUHWJXTLSA-N
XLogP3.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3R,4R)-2-oxo-1,4-diphenyl-3-propan-2-ylazetidin-3-yl]benzamide
CID 11003531
methyl 3-hydroxy-2-oxo-1,4-diphenylazetidine-3-carboxylate
CID 102070722
1,4-diphenyl-3,3-dipropylazetidin-2-one
CID 70304268
(3R,4S)-3-ethenyl-3-(2-hydroxypropan-2-yl)-1,4-diphenylazetidin-2-one
CID 101377404
(3R,4R)-3-methylsulfanyl-1,3,4-triphenylazetidin-2-one
CID 162406085
methyl 2-oxo-1,4-diphenyl-3-(1,2,2-trichloroethenyl)azetidine-3-carboxylate
CID 134919381
(4S)-4-(2-hydroxyphenyl)-3,3-dimethyl-1-phenylazetidin-2-one
CID 714178
methyl (3R,4S)-3-(1-ethoxyethoxy)-2-oxo-1,4-diphenylazetidine-3-carboxylate
CID 57225843
tert-butyl 3-chloro-2-oxo-1,4-diphenylazetidine-3-carboxylate
CID 602670
1-(4-methylphenyl)-3,3,4-triphenylazetidin-2-one
CID 156769473
3-acetyl-1,4-diphenylazetidin-2-one
CID 12575792
(4S)-3,3-difluoro-4-(4-fluorophenyl)-1-phenylazetidin-2-one
CID 2316341

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-hydroxy-1,4-diphenyl-3-propan-2-ylazetidin-2-one?
The IUPAC name of (3R,4S)-3-hydroxy-1,4-diphenyl-3-propan-2-ylazetidin-2-one (CID 15419094) is (3R,4S)-3-hydroxy-1,4-diphenyl-3-propan-2-ylazetidin-2-one.
What is the SMILES notation for (3R,4S)-3-hydroxy-1,4-diphenyl-3-propan-2-ylazetidin-2-one?
The canonical SMILES for (3R,4S)-3-hydroxy-1,4-diphenyl-3-propan-2-ylazetidin-2-one is CC(C)[C@]1(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-3-hydroxy-1,4-diphenyl-3-propan-2-ylazetidin-2-one?
The InChIKey is YVUMWOYWTBDUCV-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13(2)18(21)16(14-9-5-3-6-10-14)19(17(18)20)15-11-7-4-8-12-15/h3-13,16,21H,1-2H3/t16-,18+/m0/s1.
What are the key properties of (3R,4S)-3-hydroxy-1,4-diphenyl-3-propan-2-ylazetidin-2-one?
(3R,4S)-3-hydroxy-1,4-diphenyl-3-propan-2-ylazetidin-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-hydroxy-1,4-diphenyl-3-propan-2-ylazetidin-2-one is sourced from PubChem (CID 15419094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).