methyl 2-(3-benzamido-3-benzyl-2-oxoazetidin-1-yl)acetate

C20H20N2O4 — CID 10383359

IUPACmethyl 2-(3-benzamido-3-benzyl-2-oxoazetidin-1-yl)acetate
SMILESCOC(=O)CN1CC(Cc2ccccc2)(NC(=O)c2ccccc2)C1=O
InChIInChI=1S/C20H20N2O4/c1-26-17(23)13-22-14-20(19(22)25,12-15-8-4-2-5-9-15)21-18(24)16-10-6-3-7-11-16/h2-11H,12-14H2,1H3,(H,21,24)
InChIKeyWHGNQUSSYQLWBX-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.41
Rot. Bonds6

About methyl 2-(3-benzamido-3-benzyl-2-oxoazetidin-1-yl)acetate

methyl 2-(3-benzamido-3-benzyl-2-oxoazetidin-1-yl)acetate (PubChem CID 10383359) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is methyl 2-(3-benzamido-3-benzyl-2-oxoazetidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-benzamido-3-benzyl-2-oxoazetidin-1-yl)acetate
PubChem CID10383359
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Namemethyl 2-(3-benzamido-3-benzyl-2-oxoazetidin-1-yl)acetate
SMILESCOC(=O)CN1CC(Cc2ccccc2)(NC(=O)c2ccccc2)C1=O
InChIInChI=1S/C20H20N2O4/c1-26-17(23)13-22-14-20(19(22)25,12-15-8-4-2-5-9-15)21-18(24)16-10-6-3-7-11-16/h2-11H,12-14H2,1H3,(H,21,24)
InChIKeyWHGNQUSSYQLWBX-UHFFFAOYSA-N
XLogP1.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-benzamido-3-benzyl-2-oxoazetidin-1-yl)acetate?
The IUPAC name of methyl 2-(3-benzamido-3-benzyl-2-oxoazetidin-1-yl)acetate (CID 10383359) is methyl 2-(3-benzamido-3-benzyl-2-oxoazetidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(3-benzamido-3-benzyl-2-oxoazetidin-1-yl)acetate?
The canonical SMILES for methyl 2-(3-benzamido-3-benzyl-2-oxoazetidin-1-yl)acetate is COC(=O)CN1CC(Cc2ccccc2)(NC(=O)c2ccccc2)C1=O.
What is the InChIKey of methyl 2-(3-benzamido-3-benzyl-2-oxoazetidin-1-yl)acetate?
The InChIKey is WHGNQUSSYQLWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-26-17(23)13-22-14-20(19(22)25,12-15-8-4-2-5-9-15)21-18(24)16-10-6-3-7-11-16/h2-11H,12-14H2,1H3,(H,21,24).
What are the key properties of methyl 2-(3-benzamido-3-benzyl-2-oxoazetidin-1-yl)acetate?
methyl 2-(3-benzamido-3-benzyl-2-oxoazetidin-1-yl)acetate has a molecular weight of 352.39 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-benzamido-3-benzyl-2-oxoazetidin-1-yl)acetate is sourced from PubChem (CID 10383359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).