CAS 876294-66-5

3-(Ethoxycarbonyl)-2,5-dimethyl-1H-pyrrole-1-propanoic acid

Description:

3-(Ethoxycarbonyl)-2,5-dimethyl-1H-pyrrole-1-propanoic acid is a chemical compound characterized by its pyrrole ring, which is a five-membered aromatic heterocycle containing nitrogen. This compound features an ethoxycarbonyl group, which contributes to its reactivity and solubility properties, as well as a propanoic acid moiety that introduces acidity and potential for further chemical transformations. The presence of two methyl groups at the 2 and 5 positions of the pyrrole ring enhances its steric properties and may influence its biological activity. The compound is likely to exhibit moderate polarity due to the combination of hydrophobic (methyl groups) and hydrophilic (carboxylic acid) functional groups. Its structure suggests potential applications in pharmaceuticals or agrochemicals, where pyrrole derivatives are often explored for their biological activities. Additionally, the compound's CAS number, 876294-66-5, allows for easy identification and retrieval of information in chemical databases, facilitating research and development efforts.

Formula: C₁₂H₁₇NO₄

InChI: InChI=1S/C12H17NO4/c1-4-17-12(16)10-7-8(2)13(9(10)3)6-5-11(14)15/h7H,4-6H2,1-3H3,(H,14,15)

InChI key: InChIKey=ZMEURRCNVLHWSR-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=C(C)N(CCC(O)=O)C(C)=C1

Synonyms:

• 1H-Pyrrole-1-propanoic acid, 3-(ethoxycarbonyl)-2,5-dimethyl-
• 3-(Ethoxycarbonyl)-2,5-dimethyl-1H-pyrrole-1-propanoic acid