5-(2-fluorophenyl)pyrrolidine-2,4-dicarboxylic acid

C12H12FNO4 — CID 19709519

IUPAC5-(2-fluorophenyl)pyrrolidine-2,4-dicarboxylic acid
SMILESO=C(O)C1CC(C(=O)O)C(c2ccccc2F)N1
InChIInChI=1S/C12H12FNO4/c13-8-4-2-1-3-6(8)10-7(11(15)16)5-9(14-10)12(17)18/h1-4,7,9-10,14H,5H2,(H,15,16)(H,17,18)
InChIKeyARMIOMSEHKGTHQ-UHFFFAOYSA-N
MW253.23 g/mol
LogP1.01
Rot. Bonds3

About 5-(2-fluorophenyl)pyrrolidine-2,4-dicarboxylic acid

5-(2-fluorophenyl)pyrrolidine-2,4-dicarboxylic acid (PubChem CID 19709519) has the molecular formula C12H12FNO4 and a molecular weight of 253.23 g/mol. Its IUPAC name is 5-(2-fluorophenyl)pyrrolidine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name5-(2-fluorophenyl)pyrrolidine-2,4-dicarboxylic acid
PubChem CID19709519
Molecular FormulaC12H12FNO4
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC Name5-(2-fluorophenyl)pyrrolidine-2,4-dicarboxylic acid
SMILESO=C(O)C1CC(C(=O)O)C(c2ccccc2F)N1
InChIInChI=1S/C12H12FNO4/c13-8-4-2-1-3-6(8)10-7(11(15)16)5-9(14-10)12(17)18/h1-4,7,9-10,14H,5H2,(H,15,16)(H,17,18)
InChIKeyARMIOMSEHKGTHQ-UHFFFAOYSA-N
XLogP1.01
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-(2-fluorophenyl)pyrrolidine-2,4-dicarboxylic 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 5-(2-fluorophenyl)pyrrolidine-2,4-dicarboxylic acid?
The IUPAC name of 5-(2-fluorophenyl)pyrrolidine-2,4-dicarboxylic acid (CID 19709519) is 5-(2-fluorophenyl)pyrrolidine-2,4-dicarboxylic acid.
What is the SMILES notation for 5-(2-fluorophenyl)pyrrolidine-2,4-dicarboxylic acid?
The canonical SMILES for 5-(2-fluorophenyl)pyrrolidine-2,4-dicarboxylic acid is O=C(O)C1CC(C(=O)O)C(c2ccccc2F)N1.
What is the InChIKey of 5-(2-fluorophenyl)pyrrolidine-2,4-dicarboxylic acid?
The InChIKey is ARMIOMSEHKGTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO4/c13-8-4-2-1-3-6(8)10-7(11(15)16)5-9(14-10)12(17)18/h1-4,7,9-10,14H,5H2,(H,15,16)(H,17,18).
What are the key properties of 5-(2-fluorophenyl)pyrrolidine-2,4-dicarboxylic acid?
5-(2-fluorophenyl)pyrrolidine-2,4-dicarboxylic acid has a molecular weight of 253.23 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)pyrrolidine-2,4-dicarboxylic acid is sourced from PubChem (CID 19709519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).