CAS 1221792-59-1

3-[[(Ethylamino)carbonyl]amino]benzenepropanoic acid

Description:

3-[[(Ethylamino)carbonyl]amino]benzenepropanoic acid, also known by its CAS number 1221792-59-1, is an organic compound characterized by its complex structure that includes an aromatic ring, an ethylamino group, and a carboxylic acid functional group. This compound features a benzene ring substituted with an amino group that is further linked to a propanoic acid moiety, indicating its potential as an amino acid derivative. The presence of the ethylamino group suggests that it may exhibit basic properties, while the carboxylic acid group contributes to its acidity. The compound's structure implies potential applications in pharmaceuticals, particularly in the development of drugs that target specific biological pathways. Its solubility and reactivity can be influenced by the functional groups present, making it a candidate for various chemical reactions, including peptide synthesis or as a building block in organic synthesis. Overall, the unique combination of functional groups in this compound may lead to interesting biological activities and interactions.

Formula: C₁₂H₁₆N₂O₃

InChI: InChI=1S/C12H16N2O3/c1-2-13-12(17)14-10-5-3-4-9(8-10)6-7-11(15)16/h3-5,8H,2,6-7H2,1H3,(H,15,16)(H2,13,14,17)

InChI key: InChIKey=INBXMIAYCHEVHS-UHFFFAOYSA-N

SMILES: N(C(NCC)=O)C1=CC(CCC(O)=O)=CC=C1

Synonyms:

• Benzenepropanoic acid, 3-[[(ethylamino)carbonyl]amino]-
• 3-[[(Ethylamino)carbonyl]amino]benzenepropanoic acid