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

C21H23NO3 — CID 54053843

IUPAC[(3S)-2-oxo-4-phenyl-1-(1-phenylethyl)azetidin-3-yl] 2-methylpropanoate
SMILESCC(C)C(=O)O[C@@H]1C(=O)N(C(C)c2ccccc2)C1c1ccccc1
InChIInChI=1S/C21H23NO3/c1-14(2)21(24)25-19-18(17-12-8-5-9-13-17)22(20(19)23)15(3)16-10-6-4-7-11-16/h4-15,18-19H,1-3H3/t15?,18?,19-/m0/s1
InChIKeyLUVGDIQDKFGSEZ-PPSBMQLTSA-N
MW337.42 g/mol
LogP3.90
Rot. Bonds5

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

[(3S)-2-oxo-4-phenyl-1-(1-phenylethyl)azetidin-3-yl] 2-methylpropanoate (PubChem CID 54053843) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is [(3S)-2-oxo-4-phenyl-1-(1-phenylethyl)azetidin-3-yl] 2-methylpropanoate.

Molecular Properties

Compound Name[(3S)-2-oxo-4-phenyl-1-(1-phenylethyl)azetidin-3-yl] 2-methylpropanoate
PubChem CID54053843
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name[(3S)-2-oxo-4-phenyl-1-(1-phenylethyl)azetidin-3-yl] 2-methylpropanoate
SMILESCC(C)C(=O)O[C@@H]1C(=O)N(C(C)c2ccccc2)C1c1ccccc1
InChIInChI=1S/C21H23NO3/c1-14(2)21(24)25-19-18(17-12-8-5-9-13-17)22(20(19)23)15(3)16-10-6-4-7-11-16/h4-15,18-19H,1-3H3/t15?,18?,19-/m0/s1
InChIKeyLUVGDIQDKFGSEZ-PPSBMQLTSA-N
XLogP3.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.90
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] 2-methylpropanoate?
The IUPAC name of [(3S)-2-oxo-4-phenyl-1-(1-phenylethyl)azetidin-3-yl] 2-methylpropanoate (CID 54053843) is [(3S)-2-oxo-4-phenyl-1-(1-phenylethyl)azetidin-3-yl] 2-methylpropanoate.
What is the SMILES notation for [(3S)-2-oxo-4-phenyl-1-(1-phenylethyl)azetidin-3-yl] 2-methylpropanoate?
The canonical SMILES for [(3S)-2-oxo-4-phenyl-1-(1-phenylethyl)azetidin-3-yl] 2-methylpropanoate is CC(C)C(=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] 2-methylpropanoate?
The InChIKey is LUVGDIQDKFGSEZ-PPSBMQLTSA-N. The full InChI is InChI=1S/C21H23NO3/c1-14(2)21(24)25-19-18(17-12-8-5-9-13-17)22(20(19)23)15(3)16-10-6-4-7-11-16/h4-15,18-19H,1-3H3/t15?,18?,19-/m0/s1.
What are the key properties of [(3S)-2-oxo-4-phenyl-1-(1-phenylethyl)azetidin-3-yl] 2-methylpropanoate?
[(3S)-2-oxo-4-phenyl-1-(1-phenylethyl)azetidin-3-yl] 2-methylpropanoate has a molecular weight of 337.42 g/mol, XLogP of 3.90, 5 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] 2-methylpropanoate is sourced from PubChem (CID 54053843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).