1-(2-methoxyphenyl)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid

C18H18N2O4 — CID 118111735

IUPAC1-(2-methoxyphenyl)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOc1ccccc1N1CCCC1(C(=O)O)C(=O)c1cccnc1
InChIInChI=1S/C18H18N2O4/c1-24-15-8-3-2-7-14(15)20-11-5-9-18(20,17(22)23)16(21)13-6-4-10-19-12-13/h2-4,6-8,10,12H,5,9,11H2,1H3,(H,22,23)
InChIKeyOXIPXWYIOQASSE-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.40
Rot. Bonds5

About 1-(2-methoxyphenyl)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid

1-(2-methoxyphenyl)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 118111735) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID118111735
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name1-(2-methoxyphenyl)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOc1ccccc1N1CCCC1(C(=O)O)C(=O)c1cccnc1
InChIInChI=1S/C18H18N2O4/c1-24-15-8-3-2-7-14(15)20-11-5-9-18(20,17(22)23)16(21)13-6-4-10-19-12-13/h2-4,6-8,10,12H,5,9,11H2,1H3,(H,22,23)
InChIKeyOXIPXWYIOQASSE-UHFFFAOYSA-N
XLogP2.40
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-(2-methoxyphenyl)-2-(pyridine-3-carbonyl)pyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-methoxyphenyl)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 118111735) is 1-(2-methoxyphenyl)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-methoxyphenyl)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is COc1ccccc1N1CCCC1(C(=O)O)C(=O)c1cccnc1.
What is the InChIKey of 1-(2-methoxyphenyl)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is OXIPXWYIOQASSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-24-15-8-3-2-7-14(15)20-11-5-9-18(20,17(22)23)16(21)13-6-4-10-19-12-13/h2-4,6-8,10,12H,5,9,11H2,1H3,(H,22,23).
What are the key properties of 1-(2-methoxyphenyl)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
1-(2-methoxyphenyl)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 326.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 118111735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).