[(3S)-2-oxo-4-phenyl-1-(1-phenylethyl)azetidin-3-yl] acetate

C19H19NO3 — CID 54221376

IUPAC[(3S)-2-oxo-4-phenyl-1-(1-phenylethyl)azetidin-3-yl] acetate
SMILESCC(=O)O[C@@H]1C(=O)N(C(C)c2ccccc2)C1c1ccccc1
InChIInChI=1S/C19H19NO3/c1-13(15-9-5-3-6-10-15)20-17(16-11-7-4-8-12-16)18(19(20)22)23-14(2)21/h3-13,17-18H,1-2H3/t13?,17?,18-/m0/s1
InChIKeyQCUYZEUTMVWGFD-SYGMWZTRSA-N
MW309.37 g/mol
LogP3.26
Rot. Bonds4

About [(3S)-2-oxo-4-phenyl-1-(1-phenylethyl)azetidin-3-yl] acetate

[(3S)-2-oxo-4-phenyl-1-(1-phenylethyl)azetidin-3-yl] acetate (PubChem CID 54221376) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is [(3S)-2-oxo-4-phenyl-1-(1-phenylethyl)azetidin-3-yl] acetate.

Molecular Properties

Compound Name[(3S)-2-oxo-4-phenyl-1-(1-phenylethyl)azetidin-3-yl] acetate
PubChem CID54221376
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name[(3S)-2-oxo-4-phenyl-1-(1-phenylethyl)azetidin-3-yl] acetate
SMILESCC(=O)O[C@@H]1C(=O)N(C(C)c2ccccc2)C1c1ccccc1
InChIInChI=1S/C19H19NO3/c1-13(15-9-5-3-6-10-15)20-17(16-11-7-4-8-12-16)18(19(20)22)23-14(2)21/h3-13,17-18H,1-2H3/t13?,17?,18-/m0/s1
InChIKeyQCUYZEUTMVWGFD-SYGMWZTRSA-N
XLogP3.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxo-4-phenyl-1-(1-phenylethyl)azetidin-3-yl] acetate?
The IUPAC name of [(3S)-2-oxo-4-phenyl-1-(1-phenylethyl)azetidin-3-yl] acetate (CID 54221376) is [(3S)-2-oxo-4-phenyl-1-(1-phenylethyl)azetidin-3-yl] acetate.
What is the SMILES notation for [(3S)-2-oxo-4-phenyl-1-(1-phenylethyl)azetidin-3-yl] acetate?
The canonical SMILES for [(3S)-2-oxo-4-phenyl-1-(1-phenylethyl)azetidin-3-yl] acetate is CC(=O)O[C@@H]1C(=O)N(C(C)c2ccccc2)C1c1ccccc1.
What is the InChIKey of [(3S)-2-oxo-4-phenyl-1-(1-phenylethyl)azetidin-3-yl] acetate?
The InChIKey is QCUYZEUTMVWGFD-SYGMWZTRSA-N. The full InChI is InChI=1S/C19H19NO3/c1-13(15-9-5-3-6-10-15)20-17(16-11-7-4-8-12-16)18(19(20)22)23-14(2)21/h3-13,17-18H,1-2H3/t13?,17?,18-/m0/s1.
What are the key properties of [(3S)-2-oxo-4-phenyl-1-(1-phenylethyl)azetidin-3-yl] acetate?
[(3S)-2-oxo-4-phenyl-1-(1-phenylethyl)azetidin-3-yl] acetate has a molecular weight of 309.37 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxo-4-phenyl-1-(1-phenylethyl)azetidin-3-yl] acetate is sourced from PubChem (CID 54221376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).