L-Isoleucine, methylester (2577-46-0)

The cas register number of Methyl L-isoleucinate is 2577-46-0. It also can be called as (2S,3S)-2-Amino-3-methylpentanoic acid methyl ester and the IUPAC Name about this chemical is methyl (2S,3S)-2-amino-3-methylpentanoate.

Physical properties about Methyl L-isoleucinate are: (1)ACD/LogP: 1.07; (2)ACD/LogD (pH 5.5): -1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 16; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 52.32 ?2; (11)Index of Refraction: 1.436; (12)Molar Refractivity: 39.706 cm³; (13)Molar Volume: 151.996 cm³; (14)Polarizability: 15.741x10^-24cm³; (15)Surface Tension: 31.184 dyne/cm; (16)Flash Point: 42.685 °C; (17)Enthalpy of Vaporization: 40.563 kJ/mol; (18)Boiling Point: 169.203 °C at 760 mmHg; (19)Vapour Pressure: 1.56 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)[C@@H](N)C(CC)C
(2)InChI: InChI=1/C7H15NO2/c1-4-5(2)6(8)7(9)10-3/h5-6H,4,8H2,1-3H3/t5?,6-/m0/s1
(3)InChIKey: YXMMTUJDQTVJEN-GDVGLLTNBI
(4)Std. InChI: InChI=1S/C7H15NO2/c1-4-5(2)6(8)7(9)10-3/h5-6H,4,8H2,1-3H3/t5?,6-/m0/s1
(5)Std. InChIKey: YXMMTUJDQTVJEN-GDVGLLTNSA-N