1-benzoylazetidine-2-carboxylic acid

C11H11NO3 — CID 10130451

IUPAC1-benzoylazetidine-2-carboxylic acid
SMILESO=C(O)C1CCN1C(=O)c1ccccc1
InChIInChI=1S/C11H11NO3/c13-10(8-4-2-1-3-5-8)12-7-6-9(12)11(14)15/h1-5,9H,6-7H2,(H,14,15)
InChIKeyXVZNEKFPDOZMER-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.99
Rot. Bonds2

About 1-benzoylazetidine-2-carboxylic acid

1-benzoylazetidine-2-carboxylic acid (PubChem CID 10130451) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 1-benzoylazetidine-2-carboxylic acid.

Molecular Properties

Compound Name1-benzoylazetidine-2-carboxylic acid
PubChem CID10130451
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name1-benzoylazetidine-2-carboxylic acid
SMILESO=C(O)C1CCN1C(=O)c1ccccc1
InChIInChI=1S/C11H11NO3/c13-10(8-4-2-1-3-5-8)12-7-6-9(12)11(14)15/h1-5,9H,6-7H2,(H,14,15)
InChIKeyXVZNEKFPDOZMER-UHFFFAOYSA-N
XLogP0.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzoylazetidine-2-carboxylic acid 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 1-benzoylazetidine-2-carboxylic acid?
The IUPAC name of 1-benzoylazetidine-2-carboxylic acid (CID 10130451) is 1-benzoylazetidine-2-carboxylic acid.
What is the SMILES notation for 1-benzoylazetidine-2-carboxylic acid?
The canonical SMILES for 1-benzoylazetidine-2-carboxylic acid is O=C(O)C1CCN1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoylazetidine-2-carboxylic acid?
The InChIKey is XVZNEKFPDOZMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-10(8-4-2-1-3-5-8)12-7-6-9(12)11(14)15/h1-5,9H,6-7H2,(H,14,15).
What are the key properties of 1-benzoylazetidine-2-carboxylic acid?
1-benzoylazetidine-2-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoylazetidine-2-carboxylic acid is sourced from PubChem (CID 10130451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).