1-[1-(4-fluorophenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid

C15H20FNO2 — CID 79382695

IUPAC1-[1-(4-fluorophenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCCC(c1ccc(F)cc1)N1CCC(C(=O)O)C1C
InChIInChI=1S/C15H20FNO2/c1-3-14(11-4-6-12(16)7-5-11)17-9-8-13(10(17)2)15(18)19/h4-7,10,13-14H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyUEZJCRWMSWGFFJ-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.07
Rot. Bonds4

About 1-[1-(4-fluorophenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid

1-[1-(4-fluorophenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79382695) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79382695
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name1-[1-(4-fluorophenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCCC(c1ccc(F)cc1)N1CCC(C(=O)O)C1C
InChIInChI=1S/C15H20FNO2/c1-3-14(11-4-6-12(16)7-5-11)17-9-8-13(10(17)2)15(18)19/h4-7,10,13-14H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyUEZJCRWMSWGFFJ-UHFFFAOYSA-N
XLogP3.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(4-fluorophenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid (CID 79382695) is 1-[1-(4-fluorophenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(4-fluorophenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(4-fluorophenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid is CCC(c1ccc(F)cc1)N1CCC(C(=O)O)C1C.
What is the InChIKey of 1-[1-(4-fluorophenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is UEZJCRWMSWGFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-3-14(11-4-6-12(16)7-5-11)17-9-8-13(10(17)2)15(18)19/h4-7,10,13-14H,3,8-9H2,1-2H3,(H,18,19).
What are the key properties of 1-[1-(4-fluorophenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid?
1-[1-(4-fluorophenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79382695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).