(4-oxoazetidin-2-yl) benzoate

C10H9NO3 — CID 2724624

IUPAC(4-oxoazetidin-2-yl) benzoate
SMILESO=C1CC(OC(=O)c2ccccc2)N1
InChIInChI=1S/C10H9NO3/c12-8-6-9(11-8)14-10(13)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,11,12)
InChIKeyHJJGOOONOIFDRH-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.69
Rot. Bonds2

About (4-oxoazetidin-2-yl) benzoate

(4-oxoazetidin-2-yl) benzoate (PubChem CID 2724624) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is (4-oxoazetidin-2-yl) benzoate.

Molecular Properties

Compound Name(4-oxoazetidin-2-yl) benzoate
PubChem CID2724624
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name(4-oxoazetidin-2-yl) benzoate
SMILESO=C1CC(OC(=O)c2ccccc2)N1
InChIInChI=1S/C10H9NO3/c12-8-6-9(11-8)14-10(13)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,11,12)
InChIKeyHJJGOOONOIFDRH-UHFFFAOYSA-N
XLogP0.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-oxoazetidin-2-yl) benzoate 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 (4-oxoazetidin-2-yl) benzoate?
The IUPAC name of (4-oxoazetidin-2-yl) benzoate (CID 2724624) is (4-oxoazetidin-2-yl) benzoate.
What is the SMILES notation for (4-oxoazetidin-2-yl) benzoate?
The canonical SMILES for (4-oxoazetidin-2-yl) benzoate is O=C1CC(OC(=O)c2ccccc2)N1.
What is the InChIKey of (4-oxoazetidin-2-yl) benzoate?
The InChIKey is HJJGOOONOIFDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-8-6-9(11-8)14-10(13)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,11,12).
What are the key properties of (4-oxoazetidin-2-yl) benzoate?
(4-oxoazetidin-2-yl) benzoate has a molecular weight of 191.19 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxoazetidin-2-yl) benzoate is sourced from PubChem (CID 2724624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).