5-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid

C15H20N2O2 — CID 117405342

IUPAC5-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2ccccc2N2CCCC2)C1
InChIInChI=1S/C15H20N2O2/c18-15(19)11-9-13(16-10-11)12-5-1-2-6-14(12)17-7-3-4-8-17/h1-2,5-6,11,13,16H,3-4,7-10H2,(H,18,19)
InChIKeyPFLFWMIXLGBTJG-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.02
Rot. Bonds3

About 5-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid

5-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 117405342) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid
PubChem CID117405342
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name5-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2ccccc2N2CCCC2)C1
InChIInChI=1S/C15H20N2O2/c18-15(19)11-9-13(16-10-11)12-5-1-2-6-14(12)17-7-3-4-8-17/h1-2,5-6,11,13,16H,3-4,7-10H2,(H,18,19)
InChIKeyPFLFWMIXLGBTJG-UHFFFAOYSA-N
XLogP2.02
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid (CID 117405342) is 5-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CNC(c2ccccc2N2CCCC2)C1.
What is the InChIKey of 5-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is PFLFWMIXLGBTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15(19)11-9-13(16-10-11)12-5-1-2-6-14(12)17-7-3-4-8-17/h1-2,5-6,11,13,16H,3-4,7-10H2,(H,18,19).
What are the key properties of 5-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid?
5-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 260.34 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117405342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).