Benzenebutanoic acid, b-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methyl-,(bR)- (269398-85-8)

The Boc-(R)-3-Amino-4-(4-methylphenyl)butyric acid with cas registry number of 269398-85-8, is also called BOC-D-PHE(4-ME)-(C*CH2)OH ; BOC-D-BETA-HOPHE(4-ME)-OH . he Boc-(R)-3-Amino-4-(4-methylphenyl)butyric acid belongs to the following product categories: (1)3-Amino-4-phenylbutanoic Acid Analogs; (2)B-Amino.

Physical properties of Boc-(R)-3-Amino-4-(4-methylphenyl)butyric acid : (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.41; (4)ACD/LogD (pH 7.4): 0.62; (5)ACD/BCF (pH 5.5): 20.25; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 133.98; (8)ACD/KOC (pH 7.4): 2.19; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 79.91 cm³; (15)Molar Volume: 261.4 cm³; (16)Polarizability: 31.68×10^-24cm³; (17)Surface Tension: 42.3 dyne/cm; (18)Enthalpy of Vaporization: 75.73 kJ/mol; (19)Vapour Pressure: 3.39E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:(1)SMILES:O=C(OC(C)(C)C)N[C@H](Cc1ccc(cc1)C)CC(=O)O; (2)InChI:InChI=1/C16H23NO4/c1-11-5-7-12(8-6-11)9-13(10-14(18)19)17-15(20)21-16(2,3)4/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19)/t13-/m1/s1; (3)InChIKey:KAHQBNUMNOJEPZ-CYBMUJFWBW; (4)Std. InChI:InChI=1S/C16H23NO4/c1-11-5-7-12(8-6-11)9-13(10-14(18)19)17-15(20)21-16(2,3)4/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19)/t13-/m1/s1; (5)Std. InChIKey:KAHQBNUMNOJEPZ-CYBMUJFWSA-N.