[(2R)-2-cyano-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl] acetate

C13H12N2O4 — CID 101042375

IUPAC[(2R)-2-cyano-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl] acetate
SMILESCOc1ccc(N2C(=O)C[C@]2(C#N)OC(C)=O)cc1
InChIInChI=1S/C13H12N2O4/c1-9(16)19-13(8-14)7-12(17)15(13)10-3-5-11(18-2)6-4-10/h3-6H,7H2,1-2H3/t13-/m1/s1
InChIKeyZTFMHHHJZODLQR-CYBMUJFWSA-N
MW260.25 g/mol
LogP1.21
Rot. Bonds3

About [(2R)-2-cyano-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl] acetate

[(2R)-2-cyano-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl] acetate (PubChem CID 101042375) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is [(2R)-2-cyano-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-2-cyano-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl] acetate
PubChem CID101042375
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name[(2R)-2-cyano-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl] acetate
SMILESCOc1ccc(N2C(=O)C[C@]2(C#N)OC(C)=O)cc1
InChIInChI=1S/C13H12N2O4/c1-9(16)19-13(8-14)7-12(17)15(13)10-3-5-11(18-2)6-4-10/h3-6H,7H2,1-2H3/t13-/m1/s1
InChIKeyZTFMHHHJZODLQR-CYBMUJFWSA-N
XLogP1.21
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R)-2-cyano-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-cyano-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl] acetate?
The IUPAC name of [(2R)-2-cyano-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl] acetate (CID 101042375) is [(2R)-2-cyano-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl] acetate.
What is the SMILES notation for [(2R)-2-cyano-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl] acetate?
The canonical SMILES for [(2R)-2-cyano-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl] acetate is COc1ccc(N2C(=O)C[C@]2(C#N)OC(C)=O)cc1.
What is the InChIKey of [(2R)-2-cyano-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl] acetate?
The InChIKey is ZTFMHHHJZODLQR-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-9(16)19-13(8-14)7-12(17)15(13)10-3-5-11(18-2)6-4-10/h3-6H,7H2,1-2H3/t13-/m1/s1.
What are the key properties of [(2R)-2-cyano-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl] acetate?
[(2R)-2-cyano-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl] acetate has a molecular weight of 260.25 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-cyano-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl] acetate is sourced from PubChem (CID 101042375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).