BOC-(S)-3-AMINO-4-(2-METHYL-PHENYL)-BUTYRIC ACID

The Boc-(S)-3-Amino-4-(2-methylphenyl)butanoic acid is an organic compound with the formula C₁₆H₂₃NO₄. The IUPAC name of this chemical is (3S)-3-amino-4-(2-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid. With the CAS registry number 270062-90-3, it is also named as (S)-N-(tert-Butoxycarbonyl)-3-amino-4-(2-methylphenyl)butanoic acid. The product's categories are 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino.

Physical properties about Boc-(S)-3-Amino-4-(2-methylphenyl)butanoic acid are: (1)ACD/LogP: 3.64; (2)ACD/LogD (pH 5.5): 2.4; (3)ACD/LogD (pH 7.4): 0.61; (4)ACD/BCF (pH 5.5): 19.69; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 130.29; (7)ACD/KOC (pH 7.4): 2.14; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 55.84 Å²; (12)Index of Refraction: 1.523; (13)Molar Refractivity: 79.91 cm³; (14)Molar Volume: 261.4 cm³; (15)Polarizability: 31.68×10^-24cm³; (16)Surface Tension: 42.3 dyne/cm; (17)Density: 1.122 g/cm³; (18)Flash Point: 232.2 °C; (19)Enthalpy of Vaporization: 75.98 kJ/mol; (20)Boiling Point: 460.4 °C at 760 mmHg; (21)Vapour Pressure: 2.85E-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](Cc1ccccc1C)CC(=O)O
(2)InChI: InChI=1/C16H23NO4/c1-11-7-5-6-8-12(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-/m0/s1
(3)InChIKey: USTHBHOCUVYEFP-ZDUSSCGKBJ
(4)Std. InChI: InChI=1S/C16H23NO4/c1-11-7-5-6-8-12(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-/m0/s1
(5)Std. InChIKey: USTHBHOCUVYEFP-ZDUSSCGKSA-N