Benzenebutanoic acid, b-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-methyl-,(bR)- (269398-81-4)

The IUPAC name of Fmoc-(R)-3-Amino-4-(2-methylphenyl)butanoic acid is (3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-4-(2-methylphenyl)-5-oxopentanoic acid. With the CAS registry number 269398-81-4, it is also named as (R)-N-(9-Fluorenylmethyloxycarbonyl)-3-amino-4-(2-methylphenyl)butanoic acid. The product's categories are 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. In addition, its molecular formula is C₂₆H₂₅NO₄ and its molecular weight is 415.48.

The other characteristics of Fmoc-(R)-3-Amino-4-(2-methylphenyl)butanoic acid can be summarized as: (1)ACD/LogP: 6.08; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.81; (4)ACD/LogD (pH 7.4): 3.03; (5)ACD/BCF (pH 5.5): 1325.36; (6)ACD/BCF (pH 7.4): 21.95; (7)ACD/KOC (pH 5.5): 2602.85; (8)ACD/KOC (pH 7.4): 43.11; (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: 1.618; (14)Molar Refractivity: 117.85 cm³; (15)Molar Volume: 336.2 cm³; (16)Polarizability: 46.72×10^-24cm³; (17)Surface Tension: 54 dyne/cm; (18)Density: 1.235 g/cm³; (19)Flash Point: 343.4 °C; (20)Enthalpy of Vaporization: 99.88 kJ/mol; (21)Boiling Point: 644.1 °C at 760 mmHg; (22)Vapour Pressure: 1.8E-17 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(O)C[C@H](NC(=O)OCC3c1ccccc1c2c3cccc2)Cc4ccccc4C
(2)InChI:InChI=1/C26H25NO4/c1-17-8-2-3-9-18(17)14-19(15-25(28)29)27-26(30)31-16-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h2-13,19,24H,14-16H2,1H3,(H,27,30)(H,28,29)/t19-/m1/s1
(3)InChIKey:YOSGJRFPFRIFNX-LJQANCHMBD
(4)Std. InChI:InChI=1S/C26H25NO4/c1-17-8-2-3-9-18(17)14-19(15-25(28)29)27-26(30)31-16-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h2-13,19,24H,14-16H2,1H3,(H,27,30)(H,28,29)/t19-/m1/s1
(5)Std. InChIKey:YOSGJRFPFRIFNX-LJQANCHMSA-N