2-(4-pyrrolidin-1-ylphenyl)butanoic acid

C14H19NO2 — CID 19599631

IUPAC2-(4-pyrrolidin-1-ylphenyl)butanoic acid
SMILESCCC(C(=O)O)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C14H19NO2/c1-2-13(14(16)17)11-5-7-12(8-6-11)15-9-3-4-10-15/h5-8,13H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyIEOKUIRQSXGRBG-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.87
Rot. Bonds4

About 2-(4-pyrrolidin-1-ylphenyl)butanoic acid

2-(4-pyrrolidin-1-ylphenyl)butanoic acid (PubChem CID 19599631) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(4-pyrrolidin-1-ylphenyl)butanoic acid.

Molecular Properties

Compound Name2-(4-pyrrolidin-1-ylphenyl)butanoic acid
PubChem CID19599631
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(4-pyrrolidin-1-ylphenyl)butanoic acid
SMILESCCC(C(=O)O)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C14H19NO2/c1-2-13(14(16)17)11-5-7-12(8-6-11)15-9-3-4-10-15/h5-8,13H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyIEOKUIRQSXGRBG-UHFFFAOYSA-N
XLogP2.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-(4-pyrrolidin-1-ylphenyl)butanoic 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

2-(4-pyrrolidin-1-ylphenyl)butanedioic acid
CID 168515530
2-(4-hydroxyphenyl)-3-(4-piperidin-1-ylphenyl)propanoic acid
CID 83953409
2-phenyl-3-(4-piperidin-1-ylphenyl)propanoic acid
CID 82160408
1-(4-pentan-3-ylphenyl)pyrrolidine
CID 168513845
1-(4-pentan-3-ylphenyl)piperidine
CID 170127380
1-chloro-1-(4-piperidin-1-ylphenyl)butan-2-one
CID 82161000
(2R)-2-(4-bromophenyl)butanoic acid
CID 38988623
(1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine
CID 103694418
4-(4-pyrrolidin-1-ylphenyl)-2-(4-sulfamoylphenyl)butanoic acid
CID 19599666
(2S)-2-[4-(6-hydroxy-3-oxo-1H-isoindol-2-yl)phenyl]butanoic acid
CID 177469287
3-amino-3-(4-pyrrolidin-1-ylphenyl)propanoic acid
CID 53417398
(2R)-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]butanoic acid
CID 92953781

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrolidin-1-ylphenyl)butanoic acid?
The IUPAC name of 2-(4-pyrrolidin-1-ylphenyl)butanoic acid (CID 19599631) is 2-(4-pyrrolidin-1-ylphenyl)butanoic acid.
What is the SMILES notation for 2-(4-pyrrolidin-1-ylphenyl)butanoic acid?
The canonical SMILES for 2-(4-pyrrolidin-1-ylphenyl)butanoic acid is CCC(C(=O)O)c1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-(4-pyrrolidin-1-ylphenyl)butanoic acid?
The InChIKey is IEOKUIRQSXGRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-13(14(16)17)11-5-7-12(8-6-11)15-9-3-4-10-15/h5-8,13H,2-4,9-10H2,1H3,(H,16,17).
What are the key properties of 2-(4-pyrrolidin-1-ylphenyl)butanoic acid?
2-(4-pyrrolidin-1-ylphenyl)butanoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrolidin-1-ylphenyl)butanoic acid is sourced from PubChem (CID 19599631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).