Butanoic acid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-(phenylmethoxy)-, (3R)- (218943-31-8)

The Boc-O-benzyl-L-beta-homoserine, with the cas registry number 218943-31-8, has the systematic name of (3R)-4-(benzyloxy)-3-[(tert-butoxycarbonyl)amino]butanoic acid. It is a kind of irritant chemical, and belongs to the product category of Beta amino acids. And the molecular formula of the chemical is C₁₆H₂₃NO₅. 

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.06; (4)ACD/LogD (pH 7.4): 0.29; (5)ACD/BCF (pH 5.5): 10.17; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 75.29; (8)ACD/KOC (pH 7.4): 1.29; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 65.07 Å²; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 81.46 cm³; (15)Molar Volume: 268 cm³; (16)Polarizability: 32.29×10^-24cm³; (17)Surface Tension: 43.6 dyne/cm; (18)Density: 1.154 g/cm³; (19)Flash Point: 244.4 °C; (20)Enthalpy of Vaporization: 78.47 kJ/mol; (21)Boiling Point: 480.5 °C at 760 mmHg; (22)Vapour Pressure: 4.85E-10 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@@H](COCc1ccccc1)CC(=O)O
(2)InChI: InChI=1/C16H23NO5/c1-16(2,3)22-15(20)17-13(9-14(18)19)11-21-10-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,20)(H,18,19)/t13-/m1/s1
(3)InChIKey: BNSXKDBZQDOLAL-CYBMUJFWBS