2-[3-methyl-1-(3-methylphenyl)pyrrolidin-3-yl]acetic acid

C14H19NO2 — CID 117013143

IUPAC2-[3-methyl-1-(3-methylphenyl)pyrrolidin-3-yl]acetic acid
SMILESCc1cccc(N2CCC(C)(CC(=O)O)C2)c1
InChIInChI=1S/C14H19NO2/c1-11-4-3-5-12(8-11)15-7-6-14(2,10-15)9-13(16)17/h3-5,8H,6-7,9-10H2,1-2H3,(H,16,17)
InChIKeyOCMBVUZKRMZKBC-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.69
Rot. Bonds3

About 2-[3-methyl-1-(3-methylphenyl)pyrrolidin-3-yl]acetic acid

2-[3-methyl-1-(3-methylphenyl)pyrrolidin-3-yl]acetic acid (PubChem CID 117013143) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[3-methyl-1-(3-methylphenyl)pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-(3-methylphenyl)pyrrolidin-3-yl]acetic acid
PubChem CID117013143
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-[3-methyl-1-(3-methylphenyl)pyrrolidin-3-yl]acetic acid
SMILESCc1cccc(N2CCC(C)(CC(=O)O)C2)c1
InChIInChI=1S/C14H19NO2/c1-11-4-3-5-12(8-11)15-7-6-14(2,10-15)9-13(16)17/h3-5,8H,6-7,9-10H2,1-2H3,(H,16,17)
InChIKeyOCMBVUZKRMZKBC-UHFFFAOYSA-N
XLogP2.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-methyl-1-(3-methylphenyl)pyrrolidin-3-yl]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

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-(3-methylphenyl)pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[3-methyl-1-(3-methylphenyl)pyrrolidin-3-yl]acetic acid (CID 117013143) is 2-[3-methyl-1-(3-methylphenyl)pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-methyl-1-(3-methylphenyl)pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-methyl-1-(3-methylphenyl)pyrrolidin-3-yl]acetic acid is Cc1cccc(N2CCC(C)(CC(=O)O)C2)c1.
What is the InChIKey of 2-[3-methyl-1-(3-methylphenyl)pyrrolidin-3-yl]acetic acid?
The InChIKey is OCMBVUZKRMZKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-4-3-5-12(8-11)15-7-6-14(2,10-15)9-13(16)17/h3-5,8H,6-7,9-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[3-methyl-1-(3-methylphenyl)pyrrolidin-3-yl]acetic acid?
2-[3-methyl-1-(3-methylphenyl)pyrrolidin-3-yl]acetic acid has a molecular weight of 233.31 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-(3-methylphenyl)pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 117013143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).