2-Pyrrolidineaceticacid, 1-[(9H-fluoren-9-ylmethoxy)carbonyl]-, (2S)- (193693-60-6)

The Fmoc-L-beta-homoproline, with the CAS registry number 193693-60-6, has the systematic name of {(2S)-1-[(9H-fluoren-9-ylmethoxy)carbonyl]pyrrolidin-2-yl}acetic acid. This chemical should be stored at 2-8°C, and it belongs to the product categories of β-Homo Amino Acids and Beta amino acids. The molecular formula of the chemical is C₂₁H₂₁NO₄. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.

The characteristics of Fmoc-L-beta-homoproline as followings: (1)ACD/LogP: 3.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.34; (4)ACD/LogD (pH 7.4): 0.54; (5)ACD/BCF (pH 5.5): 20.59; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 158.92; (8)ACD/KOC (pH 7.4): 2.5; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 95.66 cm³; (15)Molar Volume: 273.9 cm³; (16)Polarizability: 37.92×10^-24cm³; (17)Surface Tension: 54.8 dyne/cm; (18)Density: 1.282 g/cm³; (19)Flash Point: 293.7 °C; (20)Enthalpy of Vaporization: 88.91 kJ/mol; (21)Boiling Point: 562.1 °C at 760 mmHg; (22)Vapour Pressure: 1.8E-13 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCC3c1ccccc1c2ccccc23)N4[C@H](CC(=O)O)CCC4
(2)InChI: InChI=1/C21H21NO4/c23-20(24)12-14-6-5-11-22(14)21(25)26-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,14,19H,5-6,11-13H2,(H,23,24)/t14-/m0/s1
(3)InChIKey: ZNIGOUDZWCDFFC-AWEZNQCLBE