1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylic acid

C13H15NO3 — CID 2900602

IUPAC1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCCc1ccc(N2CC(C(=O)O)CC2=O)cc1
InChIInChI=1S/C13H15NO3/c1-2-9-3-5-11(6-4-9)14-8-10(13(16)17)7-12(14)15/h3-6,10H,2,7-8H2,1H3,(H,16,17)
InChIKeyDFTUTKZCUVWXKB-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.69
Rot. Bonds3

About 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylic acid

1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 2900602) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID2900602
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCCc1ccc(N2CC(C(=O)O)CC2=O)cc1
InChIInChI=1S/C13H15NO3/c1-2-9-3-5-11(6-4-9)14-8-10(13(16)17)7-12(14)15/h3-6,10H,2,7-8H2,1H3,(H,16,17)
InChIKeyDFTUTKZCUVWXKB-UHFFFAOYSA-N
XLogP1.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-ethylphenyl)-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

Related Compounds

1-(2,3-Dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2927147
1-(4-Fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2912652
5-Oxo-1-(1-phenylethyl)-3-pyrrolidinecarboxylic acid
CID 616196
methyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate
CID 667795
Methyl 1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylate
CID 2902946
1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid
CID 99024
1-(3-Methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2911491
1-(3,5-Dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2741834
1-(2-Ethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2968626
1-(4-Methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2741827
ethyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate
CID 2140509
Methyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 577835

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylic acid (CID 2900602) is 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylic acid is CCc1ccc(N2CC(C(=O)O)CC2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is DFTUTKZCUVWXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-2-9-3-5-11(6-4-9)14-8-10(13(16)17)7-12(14)15/h3-6,10H,2,7-8H2,1H3,(H,16,17).
What are the key properties of 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 2900602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).