Benzenebutanoic acid, b-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3-fluoro-,(bS)- (270596-52-6)

The Fmoc-(S)-3-Amino-4-(3-fluorophenyl)butyric acid with the CAS number 270596-52-6 is also called Benzenebutanoic acid, b-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3-fluoro-,(bS)-. The systematic name is (3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(3-fluorophenyl)butanoic acid. Its molecular formula is C₂₅H₂₂FNO₄. This chemical belongs to the following product categories: (1)3-Amino-4-phenylbutyric Acid Analogs; (2)3-Amino-4-phenylbutanoic Acid Analogs; (3)B-Amino.

The properties of the Fmoc-(S)-3-Amino-4-(3-fluorophenyl)butyric acid are: (1)ACD/LogP: 5.67; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.38; (4)ACD/LogD (pH 7.4): 2.6; (5)ACD/BCF (pH 5.5): 609.56; (6)ACD/BCF (pH 7.4): 10.2; (7)ACD/KOC (pH 5.5): 1466.68; (8)ACD/KOC (pH 7.4): 24.53; (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)Polarizability: 44.8×10^-24cm³; (17)Surface Tension: 54.6 dyne/cm; (18)Enthalpy of Vaporization: 98.13 kJ/mol; (19)Vapour Pressure: 8.33×10^-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cccc(c1)C[C@H](NC(=O)OCC4c2ccccc2c3c4cccc3)CC(=O)O
(2)InChI: InChI=1/C25H22FNO4/c26-17-7-5-6-16(12-17)13-18(14-24(28)29)27-25(30)31-15-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-12,18,23H,13-15H2,(H,27,30)(H,28,29)/t18-/m0/s1
(3)InChIKey: ZZCLRFMQVCVNGD-SFHVURJKBA