methyl 2-(2-oxo-4-phenyl-3-phenylmethoxyazetidin-1-yl)propanoate

C20H21NO4 — CID 13035212

IUPACmethyl 2-(2-oxo-4-phenyl-3-phenylmethoxyazetidin-1-yl)propanoate
SMILESCOC(=O)C(C)N1C(=O)C(OCc2ccccc2)C1c1ccccc1
InChIInChI=1S/C20H21NO4/c1-14(20(23)24-2)21-17(16-11-7-4-8-12-16)18(19(21)22)25-13-15-9-5-3-6-10-15/h3-12,14,17-18H,13H2,1-2H3
InChIKeyWGNWRGKCJLKWQC-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.72
Rot. Bonds6

About methyl 2-(2-oxo-4-phenyl-3-phenylmethoxyazetidin-1-yl)propanoate

methyl 2-(2-oxo-4-phenyl-3-phenylmethoxyazetidin-1-yl)propanoate (PubChem CID 13035212) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is methyl 2-(2-oxo-4-phenyl-3-phenylmethoxyazetidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-oxo-4-phenyl-3-phenylmethoxyazetidin-1-yl)propanoate
PubChem CID13035212
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Namemethyl 2-(2-oxo-4-phenyl-3-phenylmethoxyazetidin-1-yl)propanoate
SMILESCOC(=O)C(C)N1C(=O)C(OCc2ccccc2)C1c1ccccc1
InChIInChI=1S/C20H21NO4/c1-14(20(23)24-2)21-17(16-11-7-4-8-12-16)18(19(21)22)25-13-15-9-5-3-6-10-15/h3-12,14,17-18H,13H2,1-2H3
InChIKeyWGNWRGKCJLKWQC-UHFFFAOYSA-N
XLogP2.72
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-oxo-4-phenyl-3-phenylmethoxyazetidin-1-yl)propanoate?
The IUPAC name of methyl 2-(2-oxo-4-phenyl-3-phenylmethoxyazetidin-1-yl)propanoate (CID 13035212) is methyl 2-(2-oxo-4-phenyl-3-phenylmethoxyazetidin-1-yl)propanoate.
What is the SMILES notation for methyl 2-(2-oxo-4-phenyl-3-phenylmethoxyazetidin-1-yl)propanoate?
The canonical SMILES for methyl 2-(2-oxo-4-phenyl-3-phenylmethoxyazetidin-1-yl)propanoate is COC(=O)C(C)N1C(=O)C(OCc2ccccc2)C1c1ccccc1.
What is the InChIKey of methyl 2-(2-oxo-4-phenyl-3-phenylmethoxyazetidin-1-yl)propanoate?
The InChIKey is WGNWRGKCJLKWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-14(20(23)24-2)21-17(16-11-7-4-8-12-16)18(19(21)22)25-13-15-9-5-3-6-10-15/h3-12,14,17-18H,13H2,1-2H3.
What are the key properties of methyl 2-(2-oxo-4-phenyl-3-phenylmethoxyazetidin-1-yl)propanoate?
methyl 2-(2-oxo-4-phenyl-3-phenylmethoxyazetidin-1-yl)propanoate has a molecular weight of 339.39 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-oxo-4-phenyl-3-phenylmethoxyazetidin-1-yl)propanoate is sourced from PubChem (CID 13035212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).