(3S,4R)-3-hydroxy-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-2-one

C17H17NO2 — CID 71676048

IUPAC(3S,4R)-3-hydroxy-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-2-one
SMILESC[C@@H](c1ccccc1)N1C(=O)[C@@H](O)[C@H]1c1ccccc1
InChIInChI=1S/C17H17NO2/c1-12(13-8-4-2-5-9-13)18-15(16(19)17(18)20)14-10-6-3-7-11-14/h2-12,15-16,19H,1H3/t12-,15+,16-/m0/s1
InChIKeyZQYVUTPAPKYYNK-MAZHCROVSA-N
MW267.33 g/mol
LogP2.69
Rot. Bonds3

About (3S,4R)-3-hydroxy-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-2-one

(3S,4R)-3-hydroxy-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-2-one (PubChem CID 71676048) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (3S,4R)-3-hydroxy-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-hydroxy-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-2-one
PubChem CID71676048
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(3S,4R)-3-hydroxy-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-2-one
SMILESC[C@@H](c1ccccc1)N1C(=O)[C@@H](O)[C@H]1c1ccccc1
InChIInChI=1S/C17H17NO2/c1-12(13-8-4-2-5-9-13)18-15(16(19)17(18)20)14-10-6-3-7-11-14/h2-12,15-16,19H,1H3/t12-,15+,16-/m0/s1
InChIKeyZQYVUTPAPKYYNK-MAZHCROVSA-N
XLogP2.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-hydroxy-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-2-one?
The IUPAC name of (3S,4R)-3-hydroxy-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-2-one (CID 71676048) is (3S,4R)-3-hydroxy-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-2-one.
What is the SMILES notation for (3S,4R)-3-hydroxy-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-2-one?
The canonical SMILES for (3S,4R)-3-hydroxy-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-2-one is C[C@@H](c1ccccc1)N1C(=O)[C@@H](O)[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-3-hydroxy-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-2-one?
The InChIKey is ZQYVUTPAPKYYNK-MAZHCROVSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12(13-8-4-2-5-9-13)18-15(16(19)17(18)20)14-10-6-3-7-11-14/h2-12,15-16,19H,1H3/t12-,15+,16-/m0/s1.
What are the key properties of (3S,4R)-3-hydroxy-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-2-one?
(3S,4R)-3-hydroxy-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-hydroxy-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-2-one is sourced from PubChem (CID 71676048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).