Fmoc-(R)-3-Amino-4-(3,4-difluoro-phenyl)-butyric acid

The Fmoc-(R)-3-Amino-4-(3,4-difluoro-phenyl)-butyric acid, with the CAS registry number 269396-60-3, is also known as Benzenebutanoic acid, beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3,4-difluoro-,(betaR)-. It belongs to the product categories of 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. This chemical's molecular formula is C₂₅H₂₁F₂NO₄ and molecular weight is 437.44. What's more, its systematic name is (3R)-4-(3,4-difluorophenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid. It is irritant.

Physical properties of Fmoc-(R)-3-Amino-4-(3,4-difluoro-phenyl)-butyric acid are: (1)ACD/LogP: 5.64; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.3; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 516.1; (6)ACD/BCF (pH 7.4): 8.79; (7)ACD/KOC (pH 5.5): 1265.68; (8)ACD/KOC (pH 7.4): 21.55; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 113.02 cm³; (15)Molar Volume: 328.3 cm³; (16)Surface Tension: 53.5 dyne/cm; (17)Density: 1.332 g/cm³; (18)Flash Point: 338.3 °C; (19)Enthalpy of Vaporization: 98.74 kJ/mol; (20)Boiling Point: 635.8 °C at 760 mmHg; (21)Vapour Pressure: 4.91E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1F)C[C@@H](NC(=O)OCC4c2ccccc2c3c4cccc3)CC(=O)O
(2)InChI: InChI=1S/C25H21F2NO4/c26-22-10-9-15(12-23(22)27)11-16(13-24(29)30)28-25(31)32-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-10,12,16,21H,11,13-14H2,(H,28,31)(H,29,30)/t16-/m1/s1
(3)InChIKey: JMBTVCKRMLBMJH-MRXNPFEDSA-N