Benzenepropanoic acid, b-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methyl-,(bR)- (479064-97-6)

The cas register number of Boc-(R)-3-Amino-3-(4-methylphenyl)propionic acid is 479064-97-6. It also can be called as Benzenepropanoic acid, b-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methyl-,(bR)- and the Systematic name about this chemical is 3-[(tert-butoxycarbonyl)amino]-3-(4-methylphenyl)propanoic acid. It belongs to the following product categories, such as 3-Amino-3-phenylpropionic Acid Analogs, 3-Amino-3-phenylpropanoic Acid Analogs, B-Amino and so on.

Physical properties about Boc-(R)-3-Amino-3-(4-methylphenyl)propionic acid are: (1)ACD/LogP: 3.18; (2)ACD/LogD (pH 5.5): 1.87; (3)ACD/LogD (pH 7.4): 0.1; (4)ACD/BCF (pH 5.5): 7.58; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 63.19; (7)ACD/KOC (pH 7.4): 1.06; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 55.84Ų; (12)Index of Refraction: 1.526; (13)Molar Refractivity: 75.32 cm³; (14)Molar Volume: 245.2 cm³; (15)Polarizability: 29.86x10^-24cm³; (16)Surface Tension: 43 dyne/cm; (17)Enthalpy of Vaporization: 73.32 kJ/mol; (18)Boiling Point: 438.8 °C at 760 mmHg; (19)Vapour Pressure: 1.79E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NC(c1ccc(cc1)C)CC(=O)O
(2)InChI: InChI=1/C15H21NO4/c1-10-5-7-11(8-6-10)12(9-13(17)18)16-14(19)20-15(2,3)4/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)
(3)InChIKey: MBWMIEZHOLGJBM-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C15H21NO4/c1-10-5-7-11(8-6-10)12(9-13(17)18)16-14(19)20-15(2,3)4/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)
(5)Std. InChIKey: MBWMIEZHOLGJBM-UHFFFAOYSA-N