CAS 97399-92-3

α-Methyl-1H-indole-3-butanoic acid

Description:

α-Methyl-1H-indole-3-butanoic acid, identified by its CAS number 97399-92-3, is a chemical compound that belongs to the class of indole derivatives. This substance features an indole ring structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring, along with a butanoic acid side chain. The presence of the α-methyl group contributes to its unique properties and potential biological activity. Typically, compounds of this nature may exhibit various pharmacological effects, including anti-inflammatory or analgesic properties, although specific biological activities can vary. The compound is likely to be a solid at room temperature and may be soluble in organic solvents, depending on its functional groups. Its synthesis and characterization would involve standard organic chemistry techniques, and it may be of interest in medicinal chemistry research. As with any chemical substance, safety data sheets should be consulted for handling and toxicity information.

Formula: C₁₃H₁₅NO₂

InChI: InChI=1S/C13H15NO2/c1-9(13(15)16)6-7-10-8-14-12-5-3-2-4-11(10)12/h2-5,8-9,14H,6-7H2,1H3,(H,15,16)

InChI key: InChIKey=YLDWTCRCLGIQEU-UHFFFAOYSA-N

SMILES: C(CC(C(O)=O)C)C=1C=2C(NC1)=CC=CC2

Synonyms:

• 1H-Indole-3-butanoic acid, α-methyl-
• α-Methyl-1H-indole-3-butanoic acid
• 1H-Indole-3-butanoic acid, α-methyl-, (±)-