Fmoc-(R)-3-Amino-4-(2,4-dichloro-phenyl)-butyric acid

The Fmoc-(R)-3-Amino-4-(2,4-dichloro-phenyl)-butyric acid, with the CAS registry number 269396-54-5, is also known as Benzenebutanoic acid,2,4-dichloro-beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(betaR)-. It belongs to the product categories of 3-Amino-4-phenylbutyric Acid Analogs; 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. This chemical's molecular formula is C₂₅H₂₁Cl₂NO₄ and molecular weight is 470.34. What's more, its systematic name is (3R)-4-(2,4-dichlorophenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid. It is irritant.

Physical properties of Fmoc-(R)-3-Amino-4-(2,4-dichloro-phenyl)-butyric acid are: (1)ACD/LogP: 6.83; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.48; (4)ACD/LogD (pH 7.4): 3.71; (5)ACD/BCF (pH 5.5): 4094.55; (6)ACD/BCF (pH 7.4): 69.84; (7)ACD/KOC (pH 5.5): 5558.4; (8)ACD/KOC (pH 7.4): 94.81; (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: 1.633; (14)Molar Refractivity: 122.82 cm³; (15)Molar Volume: 343.8 cm³; (16)Surface Tension: 57.2 dyne/cm; (17)Density: 1.367 g/cm³; (18)Flash Point: 360.4 °C; (19)Enthalpy of Vaporization: 103.75 kJ/mol; (20)Boiling Point: 672.3 °C at 760 mmHg; (21)Vapour Pressure: 5.41E-19 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(c(Cl)c1)C[C@@H](NC(=O)OCC4c2ccccc2c3c4cccc3)CC(=O)O
(2)InChI: InChI=1S/C25H21Cl2NO4/c26-16-10-9-15(23(27)12-16)11-17(13-24(29)30)28-25(31)32-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-10,12,17,22H,11,13-14H2,(H,28,31)(H,29,30)/t17-/m1/s1
(3)InChIKey: UAGBOWBNDBDJMF-QGZVFWFLSA-N