CAS 866019-03-6

β-(3-Methylphenyl)-1H-pyrrole-1-propanoic acid

Description:

β-(3-Methylphenyl)-1H-pyrrole-1-propanoic acid, identified by its CAS number 866019-03-6, is an organic compound characterized by its pyrrole ring structure, which is a five-membered aromatic heterocycle containing nitrogen. This compound features a propanoic acid functional group, contributing to its acidic properties, and a 3-methylphenyl substituent that enhances its hydrophobic characteristics. The presence of the methyl group on the phenyl ring can influence the compound's reactivity and solubility in various solvents. Typically, compounds of this nature may exhibit biological activity, making them of interest in pharmaceutical research. The molecular structure suggests potential interactions with biological targets, which could be explored for therapeutic applications. Additionally, the compound's stability, melting point, and solubility would depend on its specific molecular interactions and the environment in which it is studied. Overall, β-(3-Methylphenyl)-1H-pyrrole-1-propanoic acid represents a unique structure that may have implications in medicinal chemistry and related fields.

Formula: C₁₄H₁₅NO₂

InChI: InChI=1S/C14H15NO2/c1-11-5-4-6-12(9-11)13(10-14(16)17)15-7-2-3-8-15/h2-9,13H,10H2,1H3,(H,16,17)

InChI key: InChIKey=WPEWHTJKEWLCPG-UHFFFAOYSA-N

SMILES: C(CC(O)=O)(C1=CC(C)=CC=C1)N2C=CC=C2

Synonyms:

• 1H-Pyrrole-1-propanoic acid, β-(3-methylphenyl)-
• β-(3-Methylphenyl)-1H-pyrrole-1-propanoic acid