(3R)-1-(4-fluorophenyl)pyrrolidine-3-carboxylic acid

C11H12FNO2 — CID 28875709

IUPAC(3R)-1-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(c2ccc(F)cc2)C1
InChIInChI=1S/C11H12FNO2/c12-9-1-3-10(4-2-9)13-6-5-8(7-13)11(14)15/h1-4,8H,5-7H2,(H,14,15)/t8-/m1/s1
InChIKeyYJGOVCVVOBKAOW-MRVPVSSYSA-N
MW209.22 g/mol
LogP1.74
Rot. Bonds2

About (3R)-1-(4-fluorophenyl)pyrrolidine-3-carboxylic acid

(3R)-1-(4-fluorophenyl)pyrrolidine-3-carboxylic acid (PubChem CID 28875709) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is (3R)-1-(4-fluorophenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
PubChem CID28875709
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name(3R)-1-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(c2ccc(F)cc2)C1
InChIInChI=1S/C11H12FNO2/c12-9-1-3-10(4-2-9)13-6-5-8(7-13)11(14)15/h1-4,8H,5-7H2,(H,14,15)/t8-/m1/s1
InChIKeyYJGOVCVVOBKAOW-MRVPVSSYSA-N
XLogP1.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-1-(4-fluorophenyl)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 (3R)-1-(4-fluorophenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(4-fluorophenyl)pyrrolidine-3-carboxylic acid (CID 28875709) is (3R)-1-(4-fluorophenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(4-fluorophenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(4-fluorophenyl)pyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CCN(c2ccc(F)cc2)C1.
What is the InChIKey of (3R)-1-(4-fluorophenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is YJGOVCVVOBKAOW-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-9-1-3-10(4-2-9)13-6-5-8(7-13)11(14)15/h1-4,8H,5-7H2,(H,14,15)/t8-/m1/s1.
What are the key properties of (3R)-1-(4-fluorophenyl)pyrrolidine-3-carboxylic acid?
(3R)-1-(4-fluorophenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 209.22 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-fluorophenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 28875709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).