(3S,4S)-3-(2-hydroxyethyl)-1,4-diphenylazetidin-2-one

C17H17NO2 — CID 46879202

IUPAC(3S,4S)-3-(2-hydroxyethyl)-1,4-diphenylazetidin-2-one
SMILESO=C1[C@@H](CCO)[C@@H](c2ccccc2)N1c1ccccc1
InChIInChI=1S/C17H17NO2/c19-12-11-15-16(13-7-3-1-4-8-13)18(17(15)20)14-9-5-2-6-10-14/h1-10,15-16,19H,11-12H2/t15-,16+/m0/s1
InChIKeyVIFVGEQLIJMMLU-JKSUJKDBSA-N
MW267.33 g/mol
LogP2.77
Rot. Bonds4

About (3S,4S)-3-(2-hydroxyethyl)-1,4-diphenylazetidin-2-one

(3S,4S)-3-(2-hydroxyethyl)-1,4-diphenylazetidin-2-one (PubChem CID 46879202) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (3S,4S)-3-(2-hydroxyethyl)-1,4-diphenylazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-(2-hydroxyethyl)-1,4-diphenylazetidin-2-one
PubChem CID46879202
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(3S,4S)-3-(2-hydroxyethyl)-1,4-diphenylazetidin-2-one
SMILESO=C1[C@@H](CCO)[C@@H](c2ccccc2)N1c1ccccc1
InChIInChI=1S/C17H17NO2/c19-12-11-15-16(13-7-3-1-4-8-13)18(17(15)20)14-9-5-2-6-10-14/h1-10,15-16,19H,11-12H2/t15-,16+/m0/s1
InChIKeyVIFVGEQLIJMMLU-JKSUJKDBSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-(2-hydroxyethyl)-1,4-diphenylazetidin-2-one?
The IUPAC name of (3S,4S)-3-(2-hydroxyethyl)-1,4-diphenylazetidin-2-one (CID 46879202) is (3S,4S)-3-(2-hydroxyethyl)-1,4-diphenylazetidin-2-one.
What is the SMILES notation for (3S,4S)-3-(2-hydroxyethyl)-1,4-diphenylazetidin-2-one?
The canonical SMILES for (3S,4S)-3-(2-hydroxyethyl)-1,4-diphenylazetidin-2-one is O=C1[C@@H](CCO)[C@@H](c2ccccc2)N1c1ccccc1.
What is the InChIKey of (3S,4S)-3-(2-hydroxyethyl)-1,4-diphenylazetidin-2-one?
The InChIKey is VIFVGEQLIJMMLU-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H17NO2/c19-12-11-15-16(13-7-3-1-4-8-13)18(17(15)20)14-9-5-2-6-10-14/h1-10,15-16,19H,11-12H2/t15-,16+/m0/s1.
What are the key properties of (3S,4S)-3-(2-hydroxyethyl)-1,4-diphenylazetidin-2-one?
(3S,4S)-3-(2-hydroxyethyl)-1,4-diphenylazetidin-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-(2-hydroxyethyl)-1,4-diphenylazetidin-2-one is sourced from PubChem (CID 46879202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).