Fmoc-L-beta-homoalanine

The IUPAC name of Fmoc-L-beta-homoalanine is (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid. With the CAS registry number 193954-26-6, it is also named as Fmoc-3-L-aminobutanoic acid. Besides, it is white crystal, which should be stored in closed containers in a cool, dry warehouse at 2-8 °C. The product's categories are Beta Amino Acids; Unusual Amino Acids; Amino Acid Derivatives. In addition, its molecular formula is C₁₉H₁₉NO₄ and its molecular weight is 325.36.

The other characteristics of Fmoc-L-beta-homoalanine can be summarized as: (1)ACD/LogP: 3.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.42; (4)ACD/LogD (pH 7.4): 0.64; (5)ACD/BCF (pH 5.5): 19.97; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 127.54; (8)ACD/KOC (pH 7.4): 2.13; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 88.54 cm³; (15)Molar Volume: 259.2 cm³; (16)Polarizability: 35.1×10^-24cm³; (17)Surface Tension: 53.7 dyne/cm; (18)Density: 1.255 g/cm³; (19)Flash Point: 289.6 °C; (20)Enthalpy of Vaporization: 88.02 kJ/mol; (21)Boiling Point: 555.3 °C at 760 mmHg; (22)Vapour Pressure: 3.64E-13 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)
(2)InChI: InChI=1/C19H19NO4/c1-12(10-18(21)22)20-19(23)24-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17H,10-11H2,1H3,(H,20,23)(H,21,22)/t12-/m0/s1
(3)InChIKey: LYMLSPRRJWJJQD-LBPRGKRZBR
(4)Std. InChI: InChI=1S/C19H19NO4/c1-12(10-18(21)22)20-19(23)24-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17H,10-11H2,1H3,(H,20,23)(H,21,22)/t12-/m0/s1
(5)Std. InChIKey: LYMLSPRRJWJJQD-LBPRGKRZSA-N