Benzenebutanoic acid, b-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-fluoro-,(bS)- (270062-83-4)

The Systematic name of Fmoc-(S)-3-Amino-4-(4-fluorophenyl)butyric acid is (3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid. With the CAS registry number 270062-83-4, it is also named as (S)-N-(9-Fluorenylmethyloxycarbonyl)-3-amino-4-(4-fluorophenyl)butyric acid. The product's categories are 3-Amino-4-phenylbutyric Acid Analogs, 3-Amino-4-phenylbutanoic Acid Analogs and B-Amino. Its Molecular Formula is C₂₅H₂₂FNO₄ and its Molecular Weight is 419.44. 

The other characteristics of Fmoc-(S)-3-Amino-4-(4-fluorophenyl)butyric acid can be summarized as: (1)ACD/LogP: 5.67 ; (2)# of Rule of 5 Violations: 1 ; (3)ACD/LogD (pH 5.5): 4.4 ; (4)ACD/LogD (pH 7.4): 2.62 ; (5)ACD/BCF (pH 5.5): 637.69 ; (6)ACD/BCF (pH 7.4): 10.59 ; (7)ACD/KOC (pH 5.5): 1534.38 ; (8)ACD/KOC (pH 7.4): 25.48 ; (9)#H bond acceptors: 5 ; (10)#H bond donors: 2 ; (11)#Freely Rotating Bonds: 8 ; (12)Index of Refraction: 1.614 ; (13)Molar Refractivity: 113.02 cm³ ; (14)Molar Volume: 324.1 cm³ ; (15)Surface Tension: 54.6 dyne/cm ; (16)Density: 1.293 g/cm³ ; (17)Flash Point: 339 °C ; (18)Enthalpy of Vaporization: 98.89 kJ/mol ; (19)Boiling Point: 636.9 °C at 760 mmHg ; (20)Vapour Pressure: 4.29E-17 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Fc1ccc(cc1)C[C@H](NC(=O)OCC4c2ccccc2c3c4cccc3)CC(=O)O
(2)InChI:InChI=1/C25H22FNO4/c26-17-11-9-16(10-12-17)13-18(14-24(28)29)27-25(30)31-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,18,23H,13-15H2,(H,27,30)(H,28,29)/t18-/m0/s1
(3)InChIKey:LTBGWPINKRNSDL-SFHVURJKBO
(4)Std. InChI:InChI=1S/C25H22FNO4/c26-17-11-9-16(10-12-17)13-18(14-24(28)29)27-25(30)31-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,18,23H,13-15H2,(H,27,30)(H,28,29)/t18-/m0/s1
(5)Std. InChIKey:LTBGWPINKRNSDL-SFHVURJKSA-N