Benzenepropanoic acid, b-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxy-,(bR)- (329013-12-9)

The Boc-(R)-3-Amino-3-(4-hydroxyphenyl)propionic acid, with cas registry number 329013-12-9, belongs to the following product categories: (1)3-Amino-3-phenylpropanoic Acid Analogs; (2)B-Amino. It has the systematic name of (3R)-3-[(tert-butoxycarbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid.

Physical properties about this chemical are: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.71; (4)ACD/LogD (pH 7.4): -1.07; (5)ACD/BCF (pH 5.5): 1.01; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15.25; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 65.07 Å²; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 72.38 cm³; (15)Molar Volume: 227.4 cm³; (16)Polarizability: 28.69×10^-24cm³; (17)Surface Tension: 50.3 dyne/cm; (18)Enthalpy of Vaporization: 78 kJ/mol; (19)Vapour Pressure: 6.78E-10 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](c1ccc(O)cc1)CC(=O)O
(2)InChI: InChI=1/C14H19NO5/c1-14(2,3)20-13(19)15-11(8-12(17)18)9-4-6-10(16)7-5-9/h4-7,11,16H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m1/s1
(3)InChIKey: VHBNWQLIRVDMMR-LLVKDONJBX
(4)Std. InChI: InChI=1S/C14H19NO5/c1-14(2,3)20-13(19)15-11(8-12(17)18)9-4-6-10(16)7-5-9/h4-7,11,16H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m1/s1
(5)Std. InChIKey: VHBNWQLIRVDMMR-LLVKDONJSA-N