1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid

C14H17NO3 — CID 4121251

IUPAC1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1ccc(CCN2CC(C(=O)O)CC2=O)cc1
InChIInChI=1S/C14H17NO3/c1-10-2-4-11(5-3-10)6-7-15-9-12(14(17)18)8-13(15)16/h2-5,12H,6-9H2,1H3,(H,17,18)
InChIKeyARRIDUGUVCPYMT-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.47
Rot. Bonds4

About 1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid

1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 4121251) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID4121251
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1ccc(CCN2CC(C(=O)O)CC2=O)cc1
InChIInChI=1S/C14H17NO3/c1-10-2-4-11(5-3-10)6-7-15-9-12(14(17)18)8-13(15)16/h2-5,12H,6-9H2,1H3,(H,17,18)
InChIKeyARRIDUGUVCPYMT-UHFFFAOYSA-N
XLogP1.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-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-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid (CID 4121251) is 1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid is Cc1ccc(CCN2CC(C(=O)O)CC2=O)cc1.
What is the InChIKey of 1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is ARRIDUGUVCPYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10-2-4-11(5-3-10)6-7-15-9-12(14(17)18)8-13(15)16/h2-5,12H,6-9H2,1H3,(H,17,18).
What are the key properties of 1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 4121251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).