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

C15H19FN2O2 — CID 117446049

IUPAC5-(5-fluoro-2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2cc(F)ccc2N2CCCC2)C1
InChIInChI=1S/C15H19FN2O2/c16-11-3-4-14(18-5-1-2-6-18)12(8-11)13-7-10(9-17-13)15(19)20/h3-4,8,10,13,17H,1-2,5-7,9H2,(H,19,20)
InChIKeyAXUVASUKMWXUJX-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.16
Rot. Bonds3

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

5-(5-fluoro-2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 117446049) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 5-(5-fluoro-2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-fluoro-2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid
PubChem CID117446049
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name5-(5-fluoro-2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2cc(F)ccc2N2CCCC2)C1
InChIInChI=1S/C15H19FN2O2/c16-11-3-4-14(18-5-1-2-6-18)12(8-11)13-7-10(9-17-13)15(19)20/h3-4,8,10,13,17H,1-2,5-7,9H2,(H,19,20)
InChIKeyAXUVASUKMWXUJX-UHFFFAOYSA-N
XLogP2.16
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(5-fluoro-2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid (CID 117446049) is 5-(5-fluoro-2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(5-fluoro-2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(5-fluoro-2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CNC(c2cc(F)ccc2N2CCCC2)C1.
What is the InChIKey of 5-(5-fluoro-2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is AXUVASUKMWXUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c16-11-3-4-14(18-5-1-2-6-18)12(8-11)13-7-10(9-17-13)15(19)20/h3-4,8,10,13,17H,1-2,5-7,9H2,(H,19,20).
What are the key properties of 5-(5-fluoro-2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid?
5-(5-fluoro-2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 278.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117446049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).