L-Ornithine,N5-[(1,1-dimethylethoxy)carbonyl]- (13650-49-2)

The L-Ornithine,N5-[(1,1-dimethylethoxy)carbonyl]-, with the CAS registry number 13650-49-2, is also known as N-d-tert-Butyloxycarbonyl-L-ornithine. It belongs to the product categories of Amino Acids; A - H; Amino Acids; Modified Amino Acids. This chemical's molecular formula is C₁₀H₂₀N₂O₄ and molecular weight is 232.28. What's more, its IUPAC name is 2-Amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid and systematic name is called N⁵-(tert-Butoxycarbonyl)ornithine.

Physical properties about L-Ornithine,N5-[(1,1-dimethylethoxy)carbonyl]- are: (1) ACD/LogP: 0.82; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -1.68; (4) ACD/LogD (pH 7.4): -1.68; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 1; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 6; (10) #H bond donors: 4; (11) #Freely Rotating Bonds: 8; (12) Polar Surface Area: 59.08 Å²; (13) Index of Refraction: 1.486; (14) Molar Refractivity: 58.77 cm³; (15) Molar Volume: 204.6 cm³; (16) Surface Tension: 43.6 dyne/cm; (17) Density: 1.135 g/cm³; (18) Flash Point: 196.6 °C; (19) Enthalpy of Vaporization: 71.61 kJ/mol; (20) Boiling Point: 401.5 °C at 760 mmHg; (21) Vapour Pressure: 1.43E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)NCCCC(C(=O)O)N
(2) InChI: InChI=1/C10H20N2O4/c1-10(2,3)16-9(15)12-6-4-5-7(11)8(13)14/h7H,4-6,11H2,1-3H3,(H,12,15)(H,13,14)
(3) InChIKey: GLZZMUULAVZVTA-UHFFFAOYAZ