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

C17H17NO2 — CID 23243964

IUPAC(3R,4S)-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-/m1/s1
InChIKeyZDAUGHQURFIWFB-HZPDHXFCSA-N
MW267.33 g/mol
LogP2.17
Rot. Bonds4

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

(3R,4S)-1-benzyl-4-(hydroxymethyl)-3-phenylazetidin-2-one (PubChem CID 23243964) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (3R,4S)-1-benzyl-4-(hydroxymethyl)-3-phenylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-benzyl-4-(hydroxymethyl)-3-phenylazetidin-2-one
PubChem CID23243964
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(3R,4S)-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-/m1/s1
InChIKeyZDAUGHQURFIWFB-HZPDHXFCSA-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

(4S,5R)-3-benzyl-4-(hydroxymethyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-one
CID 58605835
1-benzyl-4-(4-bromophenyl)-3-phenylazetidin-2-one
CID 101419335
(3R,4S)-1-benzyl-3,4-diethylazetidin-2-one
CID 45095274
(4S)-1,3-dibenzyl-4-phenylazetidin-2-one
CID 58632784
(4R,5R)-3-benzyl-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one
CID 146267205
methyl (1R,4S,5S,7R)-3-benzyl-4-(hydroxymethyl)-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate
CID 11098837
(4R)-1-benzyl-4-(hydroxymethyl)azetidin-2-one
CID 10856298
methyl (3R,4S)-1-benzyl-2-oxo-4-phenylazetidine-3-carboxylate
CID 10469773
(3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one
CID 40999549
methyl 3-(1-benzyl-2-oxo-4-phenylazetidin-3-yl)propanoate
CID 23572772
(1S,2S,5R,6R)-2,3,5-tribenzyl-7-oxa-3-azabicyclo[4.1.0]heptan-4-one
CID 11728700
1-benzyl-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
CID 67340937

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-benzyl-4-(hydroxymethyl)-3-phenylazetidin-2-one?
The IUPAC name of (3R,4S)-1-benzyl-4-(hydroxymethyl)-3-phenylazetidin-2-one (CID 23243964) is (3R,4S)-1-benzyl-4-(hydroxymethyl)-3-phenylazetidin-2-one.
What is the SMILES notation for (3R,4S)-1-benzyl-4-(hydroxymethyl)-3-phenylazetidin-2-one?
The canonical SMILES for (3R,4S)-1-benzyl-4-(hydroxymethyl)-3-phenylazetidin-2-one is O=C1[C@H](c2ccccc2)[C@@H](CO)N1Cc1ccccc1.
What is the InChIKey of (3R,4S)-1-benzyl-4-(hydroxymethyl)-3-phenylazetidin-2-one?
The InChIKey is ZDAUGHQURFIWFB-HZPDHXFCSA-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-/m1/s1.
What are the key properties of (3R,4S)-1-benzyl-4-(hydroxymethyl)-3-phenylazetidin-2-one?
(3R,4S)-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 (3R,4S)-1-benzyl-4-(hydroxymethyl)-3-phenylazetidin-2-one is sourced from PubChem (CID 23243964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).