(3S,4R)-1-benzyl-4-(hydroxymethyl)-3-phenylazetidin-2-one

C17H17NO2 — CID 102015010

IUPAC(3S,4R)-1-benzyl-4-(hydroxymethyl)-3-phenylazetidin-2-one
SMILESO=C1[C@@H](c2ccccc2)[C@H](CO)N1Cc1ccccc1
InChIInChI=1S/C17H17NO2/c19-12-15-16(14-9-5-2-6-10-14)17(20)18(15)11-13-7-3-1-4-8-13/h1-10,15-16,19H,11-12H2/t15-,16-/m0/s1
InChIKeyZDAUGHQURFIWFB-HOTGVXAUSA-N
MW267.33 g/mol
LogP2.17
Rot. Bonds4

About (3S,4R)-1-benzyl-4-(hydroxymethyl)-3-phenylazetidin-2-one

(3S,4R)-1-benzyl-4-(hydroxymethyl)-3-phenylazetidin-2-one (PubChem CID 102015010) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (3S,4R)-1-benzyl-4-(hydroxymethyl)-3-phenylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-1-benzyl-4-(hydroxymethyl)-3-phenylazetidin-2-one
PubChem CID102015010
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(3S,4R)-1-benzyl-4-(hydroxymethyl)-3-phenylazetidin-2-one
SMILESO=C1[C@@H](c2ccccc2)[C@H](CO)N1Cc1ccccc1
InChIInChI=1S/C17H17NO2/c19-12-15-16(14-9-5-2-6-10-14)17(20)18(15)11-13-7-3-1-4-8-13/h1-10,15-16,19H,11-12H2/t15-,16-/m0/s1
InChIKeyZDAUGHQURFIWFB-HOTGVXAUSA-N
XLogP2.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxyethyl)-2,2-diphenyl-N-(propan-2-yl)acetamide
CID 659521
trans-(1S,2S)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-phenylcyclohexane-1-carboxamide
CID 145991916
(2S,3S)-1,2-dibenzyl-3-methyl-4-oxoazetidine-2-carboxylic acid
CID 56642675
(2S,3S)-2-benzyl-1-[(4-fluorophenyl)methyl]-3-methyl-4-oxoazetidine-2-carboxylic acid
CID 56642676
(3S,5R,6R)-1,3,6-Tribenzyl-5-hydroxy-piperidin-2-one
CID 468424
(1-((2R,3R)-2-(hydroxymethyl)-3-(3-phenylpropoxy)-azetidin-1-yl)-2,2-diphenylethanone
CID 89677667
(3S,4S)-3-(2-hydroxyethyl)-1,4-diphenylazetidin-2-one
CID 46879202
(2S,3S)-2-benzyl-3-methyl-4-oxo-1-(3-phenylpropyl)azetidine-2-carboxylic acid
CID 56640983
(2S,3S)-2-benzyl-3-methyl-1-[(4-methylphenyl)methyl]-4-oxoazetidine-2-carboxylic acid
CID 56642677
(2S,3S)-2-benzyl-3-methyl-4-oxo-1-[(4-phenylphenyl)methyl]azetidine-2-carboxylic acid
CID 56642807
(2S,3S)-2-benzyl-3-methyl-4-oxo-1-(2-phenylethyl)azetidine-2-carboxylic acid
CID 56642809
(2S,3R,4R)-3-[4-(1-cyclohexenyl)phenyl]-1-[(3-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
CID 54649946

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-benzyl-4-(hydroxymethyl)-3-phenylazetidin-2-one?
The IUPAC name of (3S,4R)-1-benzyl-4-(hydroxymethyl)-3-phenylazetidin-2-one (CID 102015010) is (3S,4R)-1-benzyl-4-(hydroxymethyl)-3-phenylazetidin-2-one.
What is the SMILES notation for (3S,4R)-1-benzyl-4-(hydroxymethyl)-3-phenylazetidin-2-one?
The canonical SMILES for (3S,4R)-1-benzyl-4-(hydroxymethyl)-3-phenylazetidin-2-one is O=C1[C@@H](c2ccccc2)[C@H](CO)N1Cc1ccccc1.
What is the InChIKey of (3S,4R)-1-benzyl-4-(hydroxymethyl)-3-phenylazetidin-2-one?
The InChIKey is ZDAUGHQURFIWFB-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H17NO2/c19-12-15-16(14-9-5-2-6-10-14)17(20)18(15)11-13-7-3-1-4-8-13/h1-10,15-16,19H,11-12H2/t15-,16-/m0/s1.
What are the key properties of (3S,4R)-1-benzyl-4-(hydroxymethyl)-3-phenylazetidin-2-one?
(3S,4R)-1-benzyl-4-(hydroxymethyl)-3-phenylazetidin-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-benzyl-4-(hydroxymethyl)-3-phenylazetidin-2-one is sourced from PubChem (CID 102015010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).