3-[2-(4-methoxyphenyl)-5-methylpyrrol-1-yl]propanoic acid

C15H17NO3 — CID 91673181

IUPAC3-[2-(4-methoxyphenyl)-5-methylpyrrol-1-yl]propanoic acid
SMILESCOc1ccc(-c2ccc(C)n2CCC(=O)O)cc1
InChIInChI=1S/C15H17NO3/c1-11-3-8-14(16(11)10-9-15(17)18)12-4-6-13(19-2)7-5-12/h3-8H,9-10H2,1-2H3,(H,17,18)
InChIKeyFPVOLDBDDMQEMN-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.95
Rot. Bonds5

About 3-[2-(4-methoxyphenyl)-5-methylpyrrol-1-yl]propanoic acid

3-[2-(4-methoxyphenyl)-5-methylpyrrol-1-yl]propanoic acid (PubChem CID 91673181) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)-5-methylpyrrol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)-5-methylpyrrol-1-yl]propanoic acid
PubChem CID91673181
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name3-[2-(4-methoxyphenyl)-5-methylpyrrol-1-yl]propanoic acid
SMILESCOc1ccc(-c2ccc(C)n2CCC(=O)O)cc1
InChIInChI=1S/C15H17NO3/c1-11-3-8-14(16(11)10-9-15(17)18)12-4-6-13(19-2)7-5-12/h3-8H,9-10H2,1-2H3,(H,17,18)
InChIKeyFPVOLDBDDMQEMN-UHFFFAOYSA-N
XLogP2.95
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2-carboxyethyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid
CID 894283
2-(4-methoxyphenyl)-5-methyl-1-propylpyrrole
CID 82081578
3-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid
CID 2233894
3-[5-(4-methoxyphenyl)-1-(2-methylpropyl)pyrrol-2-yl]propanoic acid
CID 954351
2-[3-cyano-6-(4-methoxyphenyl)-2-oxo-1-pyridinyl]acetic acid
CID 82099283
3-(2-ethyl-5-methylpyrrol-1-yl)propanoic acid
CID 91673050
ethanol;3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid
CID 145135992
1-(2-carboxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid
CID 82099726
3-[5-(4-methoxyphenyl)tetrazol-2-yl]propanoic acid
CID 860833
3-(7-methoxy-2-oxoquinolin-1-yl)propanoic acid
CID 68631645
3-[1-(3-methoxypropyl)-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid
CID 2231981
3-[1-(2-carboxyethyl)-5-(4-fluorophenyl)pyrrol-2-yl]propanoic acid
CID 894144

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)-5-methylpyrrol-1-yl]propanoic acid?
The IUPAC name of 3-[2-(4-methoxyphenyl)-5-methylpyrrol-1-yl]propanoic acid (CID 91673181) is 3-[2-(4-methoxyphenyl)-5-methylpyrrol-1-yl]propanoic acid.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)-5-methylpyrrol-1-yl]propanoic acid?
The canonical SMILES for 3-[2-(4-methoxyphenyl)-5-methylpyrrol-1-yl]propanoic acid is COc1ccc(-c2ccc(C)n2CCC(=O)O)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)-5-methylpyrrol-1-yl]propanoic acid?
The InChIKey is FPVOLDBDDMQEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-11-3-8-14(16(11)10-9-15(17)18)12-4-6-13(19-2)7-5-12/h3-8H,9-10H2,1-2H3,(H,17,18).
What are the key properties of 3-[2-(4-methoxyphenyl)-5-methylpyrrol-1-yl]propanoic acid?
3-[2-(4-methoxyphenyl)-5-methylpyrrol-1-yl]propanoic acid has a molecular weight of 259.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)-5-methylpyrrol-1-yl]propanoic acid is sourced from PubChem (CID 91673181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).