2-methyl-6-(2-methylazetidin-1-yl)benzoic acid

C12H15NO2 — CID 79695201

IUPAC2-methyl-6-(2-methylazetidin-1-yl)benzoic acid
SMILESCc1cccc(N2CCC2C)c1C(=O)O
InChIInChI=1S/C12H15NO2/c1-8-4-3-5-10(11(8)12(14)15)13-7-6-9(13)2/h3-5,9H,6-7H2,1-2H3,(H,14,15)
InChIKeyALEJBAAKSLRGRA-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.29
Rot. Bonds2

About 2-methyl-6-(2-methylazetidin-1-yl)benzoic acid

2-methyl-6-(2-methylazetidin-1-yl)benzoic acid (PubChem CID 79695201) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-methyl-6-(2-methylazetidin-1-yl)benzoic acid.

Molecular Properties

Compound Name2-methyl-6-(2-methylazetidin-1-yl)benzoic acid
PubChem CID79695201
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-methyl-6-(2-methylazetidin-1-yl)benzoic acid
SMILESCc1cccc(N2CCC2C)c1C(=O)O
InChIInChI=1S/C12H15NO2/c1-8-4-3-5-10(11(8)12(14)15)13-7-6-9(13)2/h3-5,9H,6-7H2,1-2H3,(H,14,15)
InChIKeyALEJBAAKSLRGRA-UHFFFAOYSA-N
XLogP2.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-6-(2-methylazetidin-1-yl)benzoic 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-methyl-6-(2-methylazetidin-1-yl)benzoic acid?
The IUPAC name of 2-methyl-6-(2-methylazetidin-1-yl)benzoic acid (CID 79695201) is 2-methyl-6-(2-methylazetidin-1-yl)benzoic acid.
What is the SMILES notation for 2-methyl-6-(2-methylazetidin-1-yl)benzoic acid?
The canonical SMILES for 2-methyl-6-(2-methylazetidin-1-yl)benzoic acid is Cc1cccc(N2CCC2C)c1C(=O)O.
What is the InChIKey of 2-methyl-6-(2-methylazetidin-1-yl)benzoic acid?
The InChIKey is ALEJBAAKSLRGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-4-3-5-10(11(8)12(14)15)13-7-6-9(13)2/h3-5,9H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-6-(2-methylazetidin-1-yl)benzoic acid?
2-methyl-6-(2-methylazetidin-1-yl)benzoic acid has a molecular weight of 205.26 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylazetidin-1-yl)benzoic acid is sourced from PubChem (CID 79695201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).