3-[5-(4-fluorophenyl)-1-(3-methoxypropyl)pyrrol-2-yl]propanoic acid

C17H20FNO3 — CID 2223161

IUPAC3-[5-(4-fluorophenyl)-1-(3-methoxypropyl)pyrrol-2-yl]propanoic acid
SMILESCOCCCn1c(CCC(=O)O)ccc1-c1ccc(F)cc1
InChIInChI=1S/C17H20FNO3/c1-22-12-2-11-19-15(8-10-17(20)21)7-9-16(19)13-3-5-14(18)6-4-13/h3-7,9H,2,8,10-12H2,1H3,(H,20,21)
InChIKeyWETZZPZVAAOMLY-UHFFFAOYSA-N
MW305.35 g/mol
LogP3.35
Rot. Bonds8

About 3-[5-(4-fluorophenyl)-1-(3-methoxypropyl)pyrrol-2-yl]propanoic acid

3-[5-(4-fluorophenyl)-1-(3-methoxypropyl)pyrrol-2-yl]propanoic acid (PubChem CID 2223161) has the molecular formula C17H20FNO3 and a molecular weight of 305.35 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1-(3-methoxypropyl)pyrrol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1-(3-methoxypropyl)pyrrol-2-yl]propanoic acid
PubChem CID2223161
Molecular FormulaC17H20FNO3
Molecular Weight305.35 g/mol
Exact Mass305.14
IUPAC Name3-[5-(4-fluorophenyl)-1-(3-methoxypropyl)pyrrol-2-yl]propanoic acid
SMILESCOCCCn1c(CCC(=O)O)ccc1-c1ccc(F)cc1
InChIInChI=1S/C17H20FNO3/c1-22-12-2-11-19-15(8-10-17(20)21)7-9-16(19)13-3-5-14(18)6-4-13/h3-7,9H,2,8,10-12H2,1H3,(H,20,21)
InChIKeyWETZZPZVAAOMLY-UHFFFAOYSA-N
XLogP3.35
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[5-(4-fluorophenyl)-1-(3-methoxypropyl)pyrrol-2-yl]propanoic 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-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl)acetic acid
CID 767161
3-[1-(Carboxymethyl)-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid
CID 707445
2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-phenylpropanoic acid
CID 654761
3-[1-(carboxymethyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl]propanoic acid
CID 650632
ethyl 3-(4-aminophenyl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoate
CID 3822568
4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]butanoic acid
CID 3245731
3-[1-(2-Ethoxy-2-oxoethyl)-5-(4-fluorophenyl)pyrrol-2-yl]propanoic acid
CID 893329
6-{2-[2-(4-Fluoro-phenyl)-5-isopropyl-pyrrol-1-yl]-ethyl}-4-hydroxy-tetrahydro-pyran-2-one
CID 13785438
6-[2-(2-Cyclohexyl-5-methyl-pyrrol-1-yl)-ethyl]-4-hydroxy-tetrahydro-pyran-2-one
CID 13785448
6-{2-[2-(4-Fluoro-phenyl)-5-isopropyl-3,4-dimethyl-pyrrol-1-yl]-ethyl}-4-hydroxy-tetrahydro-pyran-2-one
CID 14757162
6-{2-[2-(4-Fluoro-phenyl)-5-isopropyl-3-phenyl-pyrrol-1-yl]-ethyl}-4-hydroxy-tetrahydro-pyran-2-one
CID 14757164
i6-{2-[2-(4-Fluoro-phenyl)-5-methyl-pyrrol-1-yl]-ethyl}-4-hydroxy-tetrahydro-pyran-2-one
CID 18606835

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-1-(3-methoxypropyl)pyrrol-2-yl]propanoic acid?
The IUPAC name of 3-[5-(4-fluorophenyl)-1-(3-methoxypropyl)pyrrol-2-yl]propanoic acid (CID 2223161) is 3-[5-(4-fluorophenyl)-1-(3-methoxypropyl)pyrrol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1-(3-methoxypropyl)pyrrol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1-(3-methoxypropyl)pyrrol-2-yl]propanoic acid is COCCCn1c(CCC(=O)O)ccc1-c1ccc(F)cc1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1-(3-methoxypropyl)pyrrol-2-yl]propanoic acid?
The InChIKey is WETZZPZVAAOMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3/c1-22-12-2-11-19-15(8-10-17(20)21)7-9-16(19)13-3-5-14(18)6-4-13/h3-7,9H,2,8,10-12H2,1H3,(H,20,21).
What are the key properties of 3-[5-(4-fluorophenyl)-1-(3-methoxypropyl)pyrrol-2-yl]propanoic acid?
3-[5-(4-fluorophenyl)-1-(3-methoxypropyl)pyrrol-2-yl]propanoic acid has a molecular weight of 305.35 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-1-(3-methoxypropyl)pyrrol-2-yl]propanoic acid is sourced from PubChem (CID 2223161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).