1-methyl-3-phenylpyrrolidine-3-carboxylic acid

C12H15NO2 — CID 59670927

IUPAC1-methyl-3-phenylpyrrolidine-3-carboxylic acid
SMILESCN1CCC(C(=O)O)(c2ccccc2)C1
InChIInChI=1S/C12H15NO2/c1-13-8-7-12(9-13,11(14)15)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,15)
InChIKeyBLGSAZLPQQGVEH-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.34
Rot. Bonds2

About 1-methyl-3-phenylpyrrolidine-3-carboxylic acid

1-methyl-3-phenylpyrrolidine-3-carboxylic acid (PubChem CID 59670927) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-methyl-3-phenylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-phenylpyrrolidine-3-carboxylic acid
PubChem CID59670927
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-methyl-3-phenylpyrrolidine-3-carboxylic acid
SMILESCN1CCC(C(=O)O)(c2ccccc2)C1
InChIInChI=1S/C12H15NO2/c1-13-8-7-12(9-13,11(14)15)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,15)
InChIKeyBLGSAZLPQQGVEH-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3-phenylpyrrolidine-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 1-methyl-3-phenylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-methyl-3-phenylpyrrolidine-3-carboxylic acid (CID 59670927) is 1-methyl-3-phenylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-methyl-3-phenylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-methyl-3-phenylpyrrolidine-3-carboxylic acid is CN1CCC(C(=O)O)(c2ccccc2)C1.
What is the InChIKey of 1-methyl-3-phenylpyrrolidine-3-carboxylic acid?
The InChIKey is BLGSAZLPQQGVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-13-8-7-12(9-13,11(14)15)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,15).
What are the key properties of 1-methyl-3-phenylpyrrolidine-3-carboxylic acid?
1-methyl-3-phenylpyrrolidine-3-carboxylic acid has a molecular weight of 205.26 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 59670927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).