3-methyl-1-[1-(2-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid

C15H21NO2 — CID 65063976

IUPAC3-methyl-1-[1-(2-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid
SMILESCc1ccccc1C(C)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C15H21NO2/c1-11-6-4-5-7-13(11)12(2)16-9-8-15(3,10-16)14(17)18/h4-7,12H,8-10H2,1-3H3,(H,17,18)
InChIKeyZLXRTKGKWKYMKZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.85
Rot. Bonds3

About 3-methyl-1-[1-(2-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid

3-methyl-1-[1-(2-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid (PubChem CID 65063976) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-methyl-1-[1-(2-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[1-(2-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid
PubChem CID65063976
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-methyl-1-[1-(2-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid
SMILESCc1ccccc1C(C)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C15H21NO2/c1-11-6-4-5-7-13(11)12(2)16-9-8-15(3,10-16)14(17)18/h4-7,12H,8-10H2,1-3H3,(H,17,18)
InChIKeyZLXRTKGKWKYMKZ-UHFFFAOYSA-N
XLogP2.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-[1-(2-methylphenyl)ethyl]pyrrolidine-3-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 3-methyl-1-[1-(2-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[1-(2-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid (CID 65063976) is 3-methyl-1-[1-(2-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[1-(2-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[1-(2-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid is Cc1ccccc1C(C)N1CCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-[1-(2-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is ZLXRTKGKWKYMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-6-4-5-7-13(11)12(2)16-9-8-15(3,10-16)14(17)18/h4-7,12H,8-10H2,1-3H3,(H,17,18).
What are the key properties of 3-methyl-1-[1-(2-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid?
3-methyl-1-[1-(2-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-(2-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 65063976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).