4-Quinolinepropanoicacid, a-amino-1,2-dihydro-2-oxo-,hydrochloride (1:1) (4876-14-6)

The DL-3-(1,2-Dihydro-2-oxo-quinoline-4-yl)alanine hydrochloride with its cas register number is 4876-14-6. It also can be called as 2-Amino-3-(2-oxo-1,2-dihydroquinolin-4-yl)propionic acid hydrochloride and the Systematic name about this chemical is 3-(2-oxo-1,2-dihydroquinolin-4-yl)alanine hydrochloride (1:1). It belongs to the Rebamipide.

Physical properties about DL-3-(1,2-Dihydro-2-oxo-quinoline-4-yl)alanine hydrochloride are: (1)ACD/LogP: 0.80 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 49.85Ų; (10)Enthalpy of Vaporization: 83.82 kJ/mol; (11)Vapour Pressure: 9.39E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(O)C(N)CC=2c1c(cccc1)NC(=O)C=2
(2)InChI: InChI=1/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
(3)InChIKey: MPTXVJCCTVAVNL-UHFFFAOYAZ
(4)Std. 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
(5)Std. InChIKey: MPTXVJCCTVAVNL-UHFFFAOYSA-N