Benzenebutanoic acid, b-[[(1,1-dimethylethoxy)carbonyl]amino]-4-nitro-,(bR)- (219297-12-8)

The Boc-(R)-3-Amino-4-(4-nitrophenyl)butanoic acid with the CAS number 219297-12-8 is also called Benzenebutanoic acid, b-[[(1,1-dimethylethoxy)carbonyl]amino]-4-nitro-,(bR)-. The systematic name is (3R)-3-[(tert-butoxycarbonyl)amino]-4-(4-nitrophenyl)butanoic acid. Its molecular formula is C₁₅H₂₀N₂O₆. This chemical belongs to the following product categories: (1)3-Amino-4-phenylbutyric Acid Analogs; (2)3-Amino-4-phenylbutanoic Acid Analogs; (3)B-Amino.

The properties of the chemical are: (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.6; (4)ACD/LogD (pH 7.4): -0.18; (5)ACD/BCF (pH 5.5): 4.64; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 44.17; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 101.66Ų; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 81.63 cm³; (15)Molar Volume: 256.9 cm³; (16)Polarizability: 32.36×10^-24cm³; (17)Surface Tension: 50.4 dyne/cm; (18)Enthalpy of Vaporization: 84.06 kJ/mol; (19)Vapour Pressure: 7.85×10^-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(cc1)C[C@@H](NC(=O)OC(C)(C)C)CC(=O)O
(2)InChI: InChI=1/C15H20N2O6/c1-15(2,3)23-14(20)16-11(9-13(18)19)8-10-4-6-12(7-5-10)17(21)22/h4-7,11H,8-9H2,1-3H3,(H,16,20)(H,18,19)/t11-/m1/s1
(3)InChIKey: HTDDLFNQWIQXQX-LLVKDONJBL