2-(2-oxoazetidin-1-yl)-2-phenylacetic acid

C11H11NO3 — CID 156875681

IUPAC2-(2-oxoazetidin-1-yl)-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)N1CCC1=O
InChIInChI=1S/C11H11NO3/c13-9-6-7-12(9)10(11(14)15)8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,14,15)
InChIKeyVHYPISIYQNOBKP-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.04
Rot. Bonds3

About 2-(2-oxoazetidin-1-yl)-2-phenylacetic acid

2-(2-oxoazetidin-1-yl)-2-phenylacetic acid (PubChem CID 156875681) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-(2-oxoazetidin-1-yl)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(2-oxoazetidin-1-yl)-2-phenylacetic acid
PubChem CID156875681
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-(2-oxoazetidin-1-yl)-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)N1CCC1=O
InChIInChI=1S/C11H11NO3/c13-9-6-7-12(9)10(11(14)15)8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,14,15)
InChIKeyVHYPISIYQNOBKP-UHFFFAOYSA-N
XLogP1.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-oxoazetidin-1-yl)-2-phenylacetic 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 2-(2-oxoazetidin-1-yl)-2-phenylacetic acid?
The IUPAC name of 2-(2-oxoazetidin-1-yl)-2-phenylacetic acid (CID 156875681) is 2-(2-oxoazetidin-1-yl)-2-phenylacetic acid.
What is the SMILES notation for 2-(2-oxoazetidin-1-yl)-2-phenylacetic acid?
The canonical SMILES for 2-(2-oxoazetidin-1-yl)-2-phenylacetic acid is O=C(O)C(c1ccccc1)N1CCC1=O.
What is the InChIKey of 2-(2-oxoazetidin-1-yl)-2-phenylacetic acid?
The InChIKey is VHYPISIYQNOBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-9-6-7-12(9)10(11(14)15)8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,14,15).
What are the key properties of 2-(2-oxoazetidin-1-yl)-2-phenylacetic acid?
2-(2-oxoazetidin-1-yl)-2-phenylacetic acid has a molecular weight of 205.21 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoazetidin-1-yl)-2-phenylacetic acid is sourced from PubChem (CID 156875681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).