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

C17H17NO2 — CID 12968361

IUPAC(3R,4S)-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-VBNZEHGJSA-N
MW267.33 g/mol
LogP2.69
Rot. Bonds3

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

(3R,4S)-3-hydroxy-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-2-one (PubChem CID 12968361) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (3R,4S)-3-hydroxy-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-hydroxy-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-2-one
PubChem CID12968361
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(3R,4S)-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-VBNZEHGJSA-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 (3R,4S)-3-hydroxy-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-2-one?
The IUPAC name of (3R,4S)-3-hydroxy-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-2-one (CID 12968361) is (3R,4S)-3-hydroxy-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-2-one.
What is the SMILES notation for (3R,4S)-3-hydroxy-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-2-one?
The canonical SMILES for (3R,4S)-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 (3R,4S)-3-hydroxy-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-2-one?
The InChIKey is ZQYVUTPAPKYYNK-VBNZEHGJSA-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 (3R,4S)-3-hydroxy-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-2-one?
(3R,4S)-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 (3R,4S)-3-hydroxy-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-2-one is sourced from PubChem (CID 12968361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).