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

C15H20FNO3 — CID 63147638

IUPAC1-[3-(4-fluorophenoxy)propyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(CCCOc2ccc(F)cc2)C1
InChIInChI=1S/C15H20FNO3/c1-15(14(18)19)7-9-17(11-15)8-2-10-20-13-5-3-12(16)4-6-13/h3-6H,2,7-11H2,1H3,(H,18,19)
InChIKeyIYUPHMRATVXJIG-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.39
Rot. Bonds6

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

1-[3-(4-fluorophenoxy)propyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63147638) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-[3-(4-fluorophenoxy)propyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(4-fluorophenoxy)propyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63147638
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name1-[3-(4-fluorophenoxy)propyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(CCCOc2ccc(F)cc2)C1
InChIInChI=1S/C15H20FNO3/c1-15(14(18)19)7-9-17(11-15)8-2-10-20-13-5-3-12(16)4-6-13/h3-6H,2,7-11H2,1H3,(H,18,19)
InChIKeyIYUPHMRATVXJIG-UHFFFAOYSA-N
XLogP2.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-(4-fluorophenoxy)propyl]-3-methylpyrrolidine-3-carboxylic 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 1-[3-(4-fluorophenoxy)propyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[3-(4-fluorophenoxy)propyl]-3-methylpyrrolidine-3-carboxylic acid (CID 63147638) is 1-[3-(4-fluorophenoxy)propyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(4-fluorophenoxy)propyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(4-fluorophenoxy)propyl]-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(CCCOc2ccc(F)cc2)C1.
What is the InChIKey of 1-[3-(4-fluorophenoxy)propyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is IYUPHMRATVXJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-15(14(18)19)7-9-17(11-15)8-2-10-20-13-5-3-12(16)4-6-13/h3-6H,2,7-11H2,1H3,(H,18,19).
What are the key properties of 1-[3-(4-fluorophenoxy)propyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[3-(4-fluorophenoxy)propyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 281.33 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenoxy)propyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63147638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).