2-[2-(1-methylazetidin-3-yl)phenyl]acetic acid

C12H15NO2 — CID 83832858

IUPAC2-[2-(1-methylazetidin-3-yl)phenyl]acetic acid
SMILESCN1CC(c2ccccc2CC(=O)O)C1
InChIInChI=1S/C12H15NO2/c1-13-7-10(8-13)11-5-3-2-4-9(11)6-12(14)15/h2-5,10H,6-8H2,1H3,(H,14,15)
InChIKeyWMPJRCXPXQNJLY-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.34
Rot. Bonds3

About 2-[2-(1-methylazetidin-3-yl)phenyl]acetic acid

2-[2-(1-methylazetidin-3-yl)phenyl]acetic acid (PubChem CID 83832858) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[2-(1-methylazetidin-3-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(1-methylazetidin-3-yl)phenyl]acetic acid
PubChem CID83832858
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-[2-(1-methylazetidin-3-yl)phenyl]acetic acid
SMILESCN1CC(c2ccccc2CC(=O)O)C1
InChIInChI=1S/C12H15NO2/c1-13-7-10(8-13)11-5-3-2-4-9(11)6-12(14)15/h2-5,10H,6-8H2,1H3,(H,14,15)
InChIKeyWMPJRCXPXQNJLY-UHFFFAOYSA-N
XLogP1.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(1-methylazetidin-3-yl)phenyl]acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-methyl-3-[2-(1-methylazetidin-3-yl)phenyl]butanoic acid
CID 117370965
2-[1-[2-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid
CID 117365328
O-[[2-(1-methylazetidin-3-yl)phenyl]methyl]hydroxylamine
CID 117283250
2-amino-1-[2-(1-methylazetidin-3-yl)phenyl]ethanone
CID 83832576
1-(2-cyclopentylphenyl)propan-2-one
CID 83832084
2-(2-cyclohex-3-en-1-ylphenyl)acetic acid
CID 171363878
3-(2-chlorophenyl)-1-methylazetidine
CID 167307075
1-[2-(1-methylazetidin-3-yl)phenyl]cyclohexane-1-carboxylic acid
CID 117436365
2-[[2-(1-methylazetidin-3-yl)phenyl]methyl]pyrrolidine
CID 117333037
2-[2-(1,3-dioxolan-2-yl)phenyl]acetic acid
CID 10262496
2-[2-(3-oxocyclohexyl)phenyl]acetic acid
CID 115038843
4-[2-(1-methylazepan-4-yl)phenyl]butanoic acid
CID 117440756

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylazetidin-3-yl)phenyl]acetic acid?
The IUPAC name of 2-[2-(1-methylazetidin-3-yl)phenyl]acetic acid (CID 83832858) is 2-[2-(1-methylazetidin-3-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(1-methylazetidin-3-yl)phenyl]acetic acid?
The canonical SMILES for 2-[2-(1-methylazetidin-3-yl)phenyl]acetic acid is CN1CC(c2ccccc2CC(=O)O)C1.
What is the InChIKey of 2-[2-(1-methylazetidin-3-yl)phenyl]acetic acid?
The InChIKey is WMPJRCXPXQNJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-13-7-10(8-13)11-5-3-2-4-9(11)6-12(14)15/h2-5,10H,6-8H2,1H3,(H,14,15).
What are the key properties of 2-[2-(1-methylazetidin-3-yl)phenyl]acetic acid?
2-[2-(1-methylazetidin-3-yl)phenyl]acetic acid has a molecular weight of 205.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylazetidin-3-yl)phenyl]acetic acid is sourced from PubChem (CID 83832858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).