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

C14H18FNO2 — CID 122036591

IUPAC1-[2-(4-fluorophenyl)propyl]pyrrolidine-2-carboxylic acid
SMILESCC(CN1CCCC1C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c1-10(11-4-6-12(15)7-5-11)9-16-8-2-3-13(16)14(17)18/h4-7,10,13H,2-3,8-9H2,1H3,(H,17,18)
InChIKeyXYOUWLLADXTBQK-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.48
Rot. Bonds4

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

1-[2-(4-fluorophenyl)propyl]pyrrolidine-2-carboxylic acid (PubChem CID 122036591) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)propyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)propyl]pyrrolidine-2-carboxylic acid
PubChem CID122036591
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-[2-(4-fluorophenyl)propyl]pyrrolidine-2-carboxylic acid
SMILESCC(CN1CCCC1C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c1-10(11-4-6-12(15)7-5-11)9-16-8-2-3-13(16)14(17)18/h4-7,10,13H,2-3,8-9H2,1H3,(H,17,18)
InChIKeyXYOUWLLADXTBQK-UHFFFAOYSA-N
XLogP2.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(4-fluorophenyl)propyl]pyrrolidine-2-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

Related Compounds

(2R)-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-2-carboxylic acid
CID 122038316
1-[2-chloro-2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 82214513
(2R)-1-[2-[[(1R)-1-(4-fluorophenyl)ethyl]-methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 124689630
(2S)-1-[2-[[(1R)-1-(4-fluorophenyl)ethyl]-methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 124689638
1-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid
CID 82216732
1-[1-[2-(4-fluorophenyl)propyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 120842739
(2S)-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid;sulfane
CID 160932725
(2S)-1-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-2-carboxylic acid
CID 122038699
1-(3-phenylbutyl)piperidine-2-carboxylic acid
CID 65054037
1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid
CID 122036670
1-[2-(4-acetamidophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid
CID 82216330
1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 65056522

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)propyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(4-fluorophenyl)propyl]pyrrolidine-2-carboxylic acid (CID 122036591) is 1-[2-(4-fluorophenyl)propyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(4-fluorophenyl)propyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(4-fluorophenyl)propyl]pyrrolidine-2-carboxylic acid is CC(CN1CCCC1C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)propyl]pyrrolidine-2-carboxylic acid?
The InChIKey is XYOUWLLADXTBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-10(11-4-6-12(15)7-5-11)9-16-8-2-3-13(16)14(17)18/h4-7,10,13H,2-3,8-9H2,1H3,(H,17,18).
What are the key properties of 1-[2-(4-fluorophenyl)propyl]pyrrolidine-2-carboxylic acid?
1-[2-(4-fluorophenyl)propyl]pyrrolidine-2-carboxylic acid has a molecular weight of 251.30 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)propyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122036591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).