Benzenepropanoic acid, b-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-fluoro-,(bR)- (479064-95-4)

The IUPAC name of Fmoc-(R)-3-Amino-3-(4-fluoro-phenyl)-propionic acid is (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl)propanoic acid. With the CAS registry number 479064-95-4, it is also named as Benzenepropanoic acid, b-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-fluoro-,(bR)-. The product's categories are 3-Amino-3-phenylpropionic Acid Analogs; 3-Amino-3-phenylpropanoic Acid Analogs; B-Amino. In addition, its molecular formula is C₂₄H₂₀FNO₄ and its molecular weight is 405.42.

The other characteristics of Fmoc-(R)-3-Amino-3-(4-fluoro-phenyl)-propionic acid can be summarized as: (1)ACD/LogP: 5.21; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.83; (4)ACD/LogD (pH 7.4): 2.07; (5)ACD/BCF (pH 5.5): 222.47; (6)ACD/BCF (pH 7.4): 3.86; (7)ACD/KOC (pH 5.5): 674.41; (8)ACD/KOC (pH 7.4): 11.7; (9)H bond acceptors: 5; (10)H bond donors: 2; (11)Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 108.43 cm³; (15)Molar Volume: 308 cm³; (16)Polarizability: 42.98×10^-24cm³; (17)Surface Tension: 56 dyne/cm; (18)Density: 1.316 g/cm³; (19)Flash Point: 327.3 °C; (20)Enthalpy of Vaporization: 96.28 kJ/mol; (21)Boiling Point: 617.6 °C at 760 mmHg; (22)Vapour Pressure: 4.11E-16 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Fc1ccc(cc1)[C@H](NC(=O)OCC4c2ccccc2c3c4cccc3)CC(=O)O
(2)InChI:InChI=1/C24H20FNO4/c25-16-11-9-15(10-12-16)22(13-23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m1/s1
(3)InChIKey:PQXRHKBSMBRBBW-JOCHJYFZBW
(4)Std. InChI:InChI=1S/C24H20FNO4/c25-16-11-9-15(10-12-16)22(13-23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m1/s1
(5)Std. InChIKey:PQXRHKBSMBRBBW-JOCHJYFZSA-N