L-Ornithine,N2-[(1,1-dimethylethoxy)carbonyl]-N5-[(2-propen-1-yloxy)carbonyl]- (171820-74-9)

The L-Ornithine,N2-[(1,1-dimethylethoxy)carbonyl]-N5-[(2-propen-1-yloxy)carbonyl]-, with the CAS registry number 171820-74-9, is also known as Boc-Orn(Alloc)-OH. This chemical's molecular formula is C₁₄H₂₄N₂O₆ and molecular weight is 316.35. What's more, its systematic name is called N²-(tert-Butoxycarbonyl)-N5-[(prop-2-en-1-yloxy)carbonyl]-L-ornithine.

Physical properties about L-Ornithine,N2-[(1,1-dimethylethoxy)carbonyl]-N5-[(2-propen-1-yloxy)carbonyl]- are: (1) ACD/LogP: 2.20; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.21; (4) ACD/LogD (pH 7.4): -1.32; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 3.83; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 8; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 11; (12) Polar Surface Area: 85.38 Å²; (13) Index of Refraction: 1.486; (14) Molar Refractivity: 78.86 cm³; (15) Molar Volume: 274.3 cm³; (16) Surface Tension: 41.8 dyne/cm; (17) Density: 1.153 g/cm³; (18) Flash Point: 259.1 °C; (19) Enthalpy of Vaporization: 84.77 kJ/mol; (20) Boiling Point: 504.9 °C at 760 mmHg; (21) Vapour Pressure: 1.46E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)O)CCCNC(=O)OC\C=C
(2) InChI: InChI=1/C14H24N2O6/c1-5-9-21-12(19)15-8-6-7-10(11(17)18)16-13(20)22-14(2,3)4/h5,10H,1,6-9H2,2-4H3,(H,15,19)(H,16,20)(H,17,18)/t10-/m0/s1
(3) InChIKey: OSIUYHBPBBOKMJ-JTQLQIEIBN