The Glycine 1-methylethyl ester, with the CAS registry number 13048-66-3, is also known as Isopropyl glycinate. This chemical's molecular formula is C5H11NO2 and molecular weight is 117.15. Its systematic name is called propan-2-yl glycinate.
Physical properties of Glycine 1-methylethyl ester: (1)ACD/LogP: 0.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 9; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.427; (13)Molar Refractivity: 30.482 cm3; (14)Molar Volume: 118.606 cm3; (15)Surface Tension: 32.061 dyne/cm; (16)Density: 0.988 g/cm3; (17)Flash Point: 3.533 °C; (18)Enthalpy of Vaporization: 36.554 kJ/mol; (19)Boiling Point: 127.78 °C at 760 mmHg; (20)Vapour Pressure: 10.957 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)OC(=O)CN
(2)InChI: InChI=1/C5H11NO2/c1-4(2)8-5(7)3-6/h4H,3,6H2,1-2H3
(3)InChIKey: YLGOWOYJZYKTDO-UHFFFAOYAM
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