3-(2-ethoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid

C13H15NO4 — CID 105359780

IUPAC3-(2-ethoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESCCOc1ccccc1C1CC(=O)NC1C(=O)O
InChIInChI=1S/C13H15NO4/c1-2-18-10-6-4-3-5-8(10)9-7-11(15)14-12(9)13(16)17/h3-6,9,12H,2,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyATPDCYQNAGMKTJ-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.14
Rot. Bonds4

About 3-(2-ethoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid

3-(2-ethoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 105359780) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid
PubChem CID105359780
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name3-(2-ethoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESCCOc1ccccc1C1CC(=O)NC1C(=O)O
InChIInChI=1S/C13H15NO4/c1-2-18-10-6-4-3-5-8(10)9-7-11(15)14-12(9)13(16)17/h3-6,9,12H,2,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyATPDCYQNAGMKTJ-UHFFFAOYSA-N
XLogP1.14
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-ethoxyphenyl)-5-oxopyrrolidine-2-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

2-(2-ethoxyphenyl)cyclohexane-1-carboxylic acid
CID 81008651
3-(2,5-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 105359926
ethyl 3-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylate
CID 105360130
2-(2-ethoxyphenyl)cyclopentan-1-ol
CID 62801074
(3R,4S)-4-(2-ethoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 129493649
cis-(1S,2S)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236728
cis-(1R,2R)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236736
(2R)-2-(2-ethoxyphenyl)azetidine
CID 131015812
2-(2-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 63379248
4-(2-ethoxyphenyl)-3-methylpiperidine
CID 66280150
2-(2-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid
CID 82114339
(3aR,4R,9bR)-6-ethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
CID 99948055

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 3-(2-ethoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid (CID 105359780) is 3-(2-ethoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-(2-ethoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-(2-ethoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid is CCOc1ccccc1C1CC(=O)NC1C(=O)O.
What is the InChIKey of 3-(2-ethoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is ATPDCYQNAGMKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-2-18-10-6-4-3-5-8(10)9-7-11(15)14-12(9)13(16)17/h3-6,9,12H,2,7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-(2-ethoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid?
3-(2-ethoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 105359780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).