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

C18H19NO2 — CID 11055101

IUPAC(3S,4R)-4-benzyl-3-hydroxy-1-[(1R)-1-phenylethyl]azetidin-2-one
SMILESC[C@H](c1ccccc1)N1C(=O)[C@@H](O)[C@H]1Cc1ccccc1
InChIInChI=1S/C18H19NO2/c1-13(15-10-6-3-7-11-15)19-16(17(20)18(19)21)12-14-8-4-2-5-9-14/h2-11,13,16-17,20H,12H2,1H3/t13-,16-,17+/m1/s1
InChIKeyDSBXRFMGGURYSD-XYPHTWIQSA-N
MW281.36 g/mol
LogP2.56
Rot. Bonds4

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

(3S,4R)-4-benzyl-3-hydroxy-1-[(1R)-1-phenylethyl]azetidin-2-one (PubChem CID 11055101) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (3S,4R)-4-benzyl-3-hydroxy-1-[(1R)-1-phenylethyl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-4-benzyl-3-hydroxy-1-[(1R)-1-phenylethyl]azetidin-2-one
PubChem CID11055101
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(3S,4R)-4-benzyl-3-hydroxy-1-[(1R)-1-phenylethyl]azetidin-2-one
SMILESC[C@H](c1ccccc1)N1C(=O)[C@@H](O)[C@H]1Cc1ccccc1
InChIInChI=1S/C18H19NO2/c1-13(15-10-6-3-7-11-15)19-16(17(20)18(19)21)12-14-8-4-2-5-9-14/h2-11,13,16-17,20H,12H2,1H3/t13-,16-,17+/m1/s1
InChIKeyDSBXRFMGGURYSD-XYPHTWIQSA-N
XLogP2.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-benzyl-3-hydroxy-1-[(1R)-1-phenylethyl]azetidin-2-one?
The IUPAC name of (3S,4R)-4-benzyl-3-hydroxy-1-[(1R)-1-phenylethyl]azetidin-2-one (CID 11055101) is (3S,4R)-4-benzyl-3-hydroxy-1-[(1R)-1-phenylethyl]azetidin-2-one.
What is the SMILES notation for (3S,4R)-4-benzyl-3-hydroxy-1-[(1R)-1-phenylethyl]azetidin-2-one?
The canonical SMILES for (3S,4R)-4-benzyl-3-hydroxy-1-[(1R)-1-phenylethyl]azetidin-2-one is C[C@H](c1ccccc1)N1C(=O)[C@@H](O)[C@H]1Cc1ccccc1.
What is the InChIKey of (3S,4R)-4-benzyl-3-hydroxy-1-[(1R)-1-phenylethyl]azetidin-2-one?
The InChIKey is DSBXRFMGGURYSD-XYPHTWIQSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13(15-10-6-3-7-11-15)19-16(17(20)18(19)21)12-14-8-4-2-5-9-14/h2-11,13,16-17,20H,12H2,1H3/t13-,16-,17+/m1/s1.
What are the key properties of (3S,4R)-4-benzyl-3-hydroxy-1-[(1R)-1-phenylethyl]azetidin-2-one?
(3S,4R)-4-benzyl-3-hydroxy-1-[(1R)-1-phenylethyl]azetidin-2-one has a molecular weight of 281.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-benzyl-3-hydroxy-1-[(1R)-1-phenylethyl]azetidin-2-one is sourced from PubChem (CID 11055101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).