CAS 137433-08-0

4-Quinolinepropanoic acid, α-amino-1,2-dihydro-2-oxo-, hydrochloride (1:1), (αS)-

Description:

4-Quinolinepropanoic acid, α-amino-1,2-dihydro-2-oxo-, hydrochloride (1:1), (αS)- is a chemical compound characterized by its unique structure that includes a quinoline ring fused to a propanoic acid moiety. This compound features an α-amino group, indicating it possesses both amine and carboxylic acid functional groups, which contribute to its potential as a zwitterionic species in solution. The hydrochloride form suggests that it is a salt, enhancing its solubility in polar solvents, particularly water. The presence of the dihydro-2-oxo group indicates that it may exhibit keto-enol tautomerism, which can influence its reactivity and biological activity. This compound may be of interest in pharmaceutical research due to its structural features, which could impart specific biological properties, such as antimicrobial or anti-inflammatory effects. Its stereochemistry, denoted by (αS)-, indicates the specific spatial arrangement of atoms, which can significantly affect its interaction with biological targets. Overall, this compound exemplifies the complexity and diversity of organic molecules in medicinal chemistry.

Formula: C₁₂H₁₂N₂O₃·ClH

InChI: InChI=1S/C12H12N2O3.ClH/c13-9(12(16)17)5-7-6-11(15)14-10-4-2-1-3-8(7)10;/h1-4,6,9H,5,13H2,(H,14,15)(H,16,17);1H/t9-;/m0./s1

InChI key: InChIKey=MPTXVJCCTVAVNL-FVGYRXGTSA-N

SMILES: C([C@@H](C(O)=O)N)C=1C=2C(NC(=O)C1)=CC=CC2.Cl

Synonyms:

• (s)-2-Amino-3-(2-oxo-1,2-dihydroquinolin-4-yl)propionic acid hydrochloride
• 4-Quinolinepropanoic acid, α-amino-1,2-dihydro-2-oxo-, monohydrochloride, (αS)-
• 4-Quinolinepropanoic acid, α-amino-1,2-dihydro-2-oxo-, monohydrochloride, (S)-
• 4-Quinolinepropanoic acid, α-amino-1,2-dihydro-2-oxo-, hydrochloride (1:1), (αS)-