3-(3-fluorophenyl)-3-pyrrolidin-1-ylpentanoic acid

C15H20FNO2 — CID 114873020

IUPAC3-(3-fluorophenyl)-3-pyrrolidin-1-ylpentanoic acid
SMILESCCC(CC(=O)O)(c1cccc(F)c1)N1CCCC1
InChIInChI=1S/C15H20FNO2/c1-2-15(11-14(18)19,17-8-3-4-9-17)12-6-5-7-13(16)10-12/h5-7,10H,2-4,8-9,11H2,1H3,(H,18,19)
InChIKeyJLWIIHAFWPKWNA-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.00
Rot. Bonds5

About 3-(3-fluorophenyl)-3-pyrrolidin-1-ylpentanoic acid

3-(3-fluorophenyl)-3-pyrrolidin-1-ylpentanoic acid (PubChem CID 114873020) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-3-pyrrolidin-1-ylpentanoic acid.

Molecular Properties

Compound Name3-(3-fluorophenyl)-3-pyrrolidin-1-ylpentanoic acid
PubChem CID114873020
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name3-(3-fluorophenyl)-3-pyrrolidin-1-ylpentanoic acid
SMILESCCC(CC(=O)O)(c1cccc(F)c1)N1CCCC1
InChIInChI=1S/C15H20FNO2/c1-2-15(11-14(18)19,17-8-3-4-9-17)12-6-5-7-13(16)10-12/h5-7,10H,2-4,8-9,11H2,1H3,(H,18,19)
InChIKeyJLWIIHAFWPKWNA-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-3-pyrrolidin-1-ylpentanoic acid?
The IUPAC name of 3-(3-fluorophenyl)-3-pyrrolidin-1-ylpentanoic acid (CID 114873020) is 3-(3-fluorophenyl)-3-pyrrolidin-1-ylpentanoic acid.
What is the SMILES notation for 3-(3-fluorophenyl)-3-pyrrolidin-1-ylpentanoic acid?
The canonical SMILES for 3-(3-fluorophenyl)-3-pyrrolidin-1-ylpentanoic acid is CCC(CC(=O)O)(c1cccc(F)c1)N1CCCC1.
What is the InChIKey of 3-(3-fluorophenyl)-3-pyrrolidin-1-ylpentanoic acid?
The InChIKey is JLWIIHAFWPKWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-2-15(11-14(18)19,17-8-3-4-9-17)12-6-5-7-13(16)10-12/h5-7,10H,2-4,8-9,11H2,1H3,(H,18,19).
What are the key properties of 3-(3-fluorophenyl)-3-pyrrolidin-1-ylpentanoic acid?
3-(3-fluorophenyl)-3-pyrrolidin-1-ylpentanoic acid has a molecular weight of 265.33 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-3-pyrrolidin-1-ylpentanoic acid is sourced from PubChem (CID 114873020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).