Benzenebutanoic acid, b-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-fluoro-,(bS)- (270596-49-1)

The Fmoc-(S)-3-Amino-4-(2-fluorophenyl)butyric acid, with the CAS registry number 270596-49-1, is also known as (S)-N-(9-Fluorenylmethyloxycarbonyl)-3-amino-4-(2-fluorophenyl)butyric acid. 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 C₂₅H₂₂FNO₄ and formula weight is 419.44. What's more, its systematic name is called (3S)-3-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-4-(2-fluorophenyl)butanoic acid.

Physical properties about this chemical are: (1)ACD/LogP: 5.67; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.36; (4)ACD/LogD (pH 7.4): 2.58; (5)ACD/BCF (pH 5.5): 582.43; (6)ACD/BCF (pH 7.4): 9.82; (7)ACD/KOC (pH 5.5): 1401.4; (8)ACD/KOC (pH 7.4): 23.63; (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: 1.614; (14)Molar Refractivity: 113.02 cm³; (15)Molar Volume: 324.1 cm³; (16)Surface Tension: 54.6 dyne/cm; (17)Density: 1.293 g/cm³; (18)Flash Point: 336.9 °C; (19)Enthalpy of Vaporization: 98.42 kJ/mol; (20)Boiling Point: 633.4 °C at 760 mmHg; (21)Vapour Pressure: 6.5E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccccc1C[C@H](NC(=O)OCC4c2ccccc2c3c4cccc3)CC(=O)O
(2)InChI: InChI=1/C25H22FNO4/c26-23-12-6-1-7-16(23)13-17(14-24(28)29)27-25(30)31-15-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h1-12,17,22H,13-15H2,(H,27,30)(H,28,29)/t17-/m0/s1
(3)InChIKey: QGZZXPYYCHIOHR-KRWDZBQOB