(3S,4R)-1-cyclopentyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid

C17H23NO3 — CID 70774046

IUPAC(3S,4R)-1-cyclopentyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
SMILESCOc1cccc([C@@H]2CN(C3CCCC3)C[C@H]2C(=O)O)c1
InChIInChI=1S/C17H23NO3/c1-21-14-8-4-5-12(9-14)15-10-18(11-16(15)17(19)20)13-6-2-3-7-13/h4-5,8-9,13,15-16H,2-3,6-7,10-11H2,1H3,(H,19,20)/t15-,16+/m0/s1
InChIKeyFOXOEFOFJRWSRV-JKSUJKDBSA-N
MW289.37 g/mol
LogP2.74
Rot. Bonds4

About (3S,4R)-1-cyclopentyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid

(3S,4R)-1-cyclopentyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 70774046) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is (3S,4R)-1-cyclopentyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-1-cyclopentyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
PubChem CID70774046
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name(3S,4R)-1-cyclopentyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
SMILESCOc1cccc([C@@H]2CN(C3CCCC3)C[C@H]2C(=O)O)c1
InChIInChI=1S/C17H23NO3/c1-21-14-8-4-5-12(9-14)15-10-18(11-16(15)17(19)20)13-6-2-3-7-13/h4-5,8-9,13,15-16H,2-3,6-7,10-11H2,1H3,(H,19,20)/t15-,16+/m0/s1
InChIKeyFOXOEFOFJRWSRV-JKSUJKDBSA-N
XLogP2.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,4R)-1-cyclopentyl-4-(3-methoxyphenyl)pyrrolidine-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 (3S,4R)-1-cyclopentyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4R)-1-cyclopentyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid (CID 70774046) is (3S,4R)-1-cyclopentyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4R)-1-cyclopentyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4R)-1-cyclopentyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid is COc1cccc([C@@H]2CN(C3CCCC3)C[C@H]2C(=O)O)c1.
What is the InChIKey of (3S,4R)-1-cyclopentyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is FOXOEFOFJRWSRV-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H23NO3/c1-21-14-8-4-5-12(9-14)15-10-18(11-16(15)17(19)20)13-6-2-3-7-13/h4-5,8-9,13,15-16H,2-3,6-7,10-11H2,1H3,(H,19,20)/t15-,16+/m0/s1.
What are the key properties of (3S,4R)-1-cyclopentyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid?
(3S,4R)-1-cyclopentyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 289.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-cyclopentyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 70774046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).