4-Pyridinepropanoicacid, a-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(aS)- (169555-95-7)

The IUPAC name of Fmoc-3-(4-pyridyl)-L-alanine is (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid. With the CAS registry number 169555-95-7, it is also named as N-(9-Fluorenylmethoxycarbonyl)-3-(4-pyridyl)-L-alanine. The product's categories are Amino Acids; A-Amino. In addition, its molecular formula is C₂₃H₂₀N₂O₄ and its molecular weight is 388.42. This chemcal should be stored at 2-8 °C.

The other characteristics of Fmoc-3-(4-pyridyl)-L-alanine can be summarized as: (1)ACD/LogP: 3.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.46; (4)ACD/LogD (pH 7.4): 0.43; (5)ACD/BCF (pH 5.5): 1.97; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.38; (8)ACD/KOC (pH 7.4): 1.04; (9)H bond acceptors: 6; (10)H bond donors: 2; (11)Freely Rotating Bonds: 7; (12)Polar Surface Area: 68.73 Å²; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 106.49 cm³; (15)Molar Volume: 296.6 cm³; (16)Polarizability: 42.21×10^-24cm³; (17)Surface Tension: 60.8 dyne/cm; (18)Density: 1.309 g/cm³; (19)Flash Point: 345 °C; (20)Enthalpy of Vaporization: 100.26 kJ/mol; (21)Boiling Point: 646.9 °C at 760 mmHg; (22)Vapour Pressure: 1.28E-17 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(O)[C@@H](NC(=O)OCC3c1ccccc1c2ccccc23)Cc4ccncc4
(2)InChI:InChI=1/C23H20N2O4/c26-22(27)21(13-15-9-11-24-12-10-15)25-23(28)29-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20-21H,13-14H2,(H,25,28)(H,26,27)/t21-/m0/s1
(3)InChIKey:SCSSXJVRZMQUKA-NRFANRHFBY
(4)Std. InChI:InChI=1S/C23H20N2O4/c26-22(27)21(13-15-9-11-24-12-10-15)25-23(28)29-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20-21H,13-14H2,(H,25,28)(H,26,27)/t21-/m0/s1
(5)Std. InChIKey:SCSSXJVRZMQUKA-NRFANRHFSA-N