(3R,4S)-1-cyclopentyl-4-(2-methylphenyl)pyrrolidine-3-carboxylic acid

C17H23NO2 — CID 164642174

IUPAC(3R,4S)-1-cyclopentyl-4-(2-methylphenyl)pyrrolidine-3-carboxylic acid
SMILESCc1ccccc1[C@H]1CN(C2CCCC2)C[C@@H]1C(=O)O
InChIInChI=1S/C17H23NO2/c1-12-6-2-5-9-14(12)15-10-18(11-16(15)17(19)20)13-7-3-4-8-13/h2,5-6,9,13,15-16H,3-4,7-8,10-11H2,1H3,(H,19,20)/t15-,16+/m1/s1
InChIKeyPIUOQAVHIDUDMH-CVEARBPZSA-N
MW273.38 g/mol
LogP3.04
Rot. Bonds3

About (3R,4S)-1-cyclopentyl-4-(2-methylphenyl)pyrrolidine-3-carboxylic acid

(3R,4S)-1-cyclopentyl-4-(2-methylphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 164642174) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (3R,4S)-1-cyclopentyl-4-(2-methylphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-1-cyclopentyl-4-(2-methylphenyl)pyrrolidine-3-carboxylic acid
PubChem CID164642174
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(3R,4S)-1-cyclopentyl-4-(2-methylphenyl)pyrrolidine-3-carboxylic acid
SMILESCc1ccccc1[C@H]1CN(C2CCCC2)C[C@@H]1C(=O)O
InChIInChI=1S/C17H23NO2/c1-12-6-2-5-9-14(12)15-10-18(11-16(15)17(19)20)13-7-3-4-8-13/h2,5-6,9,13,15-16H,3-4,7-8,10-11H2,1H3,(H,19,20)/t15-,16+/m1/s1
InChIKeyPIUOQAVHIDUDMH-CVEARBPZSA-N
XLogP3.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-cyclopentyl-4-(2-methylphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4S)-1-cyclopentyl-4-(2-methylphenyl)pyrrolidine-3-carboxylic acid (CID 164642174) is (3R,4S)-1-cyclopentyl-4-(2-methylphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4S)-1-cyclopentyl-4-(2-methylphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4S)-1-cyclopentyl-4-(2-methylphenyl)pyrrolidine-3-carboxylic acid is Cc1ccccc1[C@H]1CN(C2CCCC2)C[C@@H]1C(=O)O.
What is the InChIKey of (3R,4S)-1-cyclopentyl-4-(2-methylphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is PIUOQAVHIDUDMH-CVEARBPZSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12-6-2-5-9-14(12)15-10-18(11-16(15)17(19)20)13-7-3-4-8-13/h2,5-6,9,13,15-16H,3-4,7-8,10-11H2,1H3,(H,19,20)/t15-,16+/m1/s1.
What are the key properties of (3R,4S)-1-cyclopentyl-4-(2-methylphenyl)pyrrolidine-3-carboxylic acid?
(3R,4S)-1-cyclopentyl-4-(2-methylphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 273.38 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-cyclopentyl-4-(2-methylphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 164642174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).