2-[carbamoyl(nitroso)amino]-6-(1-methyl-3-oxotriazan-2-yl)hexanoic acid

The N(sup 2)-Carbamoyl-N(sup 2), N(sup 6)-dinitroso-N(sup 6)-methylaminolysine, with the CAS registry number 102586-07-2, is also known as Lysine, N(sup 2)-carbamoyl-N(sup 2), N(sup 6)-dinitroso-N(sup 6)-methylamino-. This chemical's molecular formula is C₈H₁₆N₆O₅ and molecular weight is 276.249840. What's more, its IUPAC name is 2-[Carbamoyl(nitroso)amino]-6-[methylamino(nitroso)amino]hexanoic acid. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties about N(sup 2)-Carbamoyl-N(sup 2), N(sup 6)-dinitroso-N(sup 6)-methylaminolysine are: (1)ACD/LogP: -0.08; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.29; (4)ACD/LogD (pH 7.4): -3.67; (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: 11; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 115.19 Å²; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 62.47 cm³; (15)Molar Volume: 179.5 cm³; (16)Polarizability: 24.76×10^-24 cm³; (17)Surface Tension: 69.6 dyne/cm; (18)Density: 1.53 g/cm³; (19)Flash Point: 237.1 °C; (20)Enthalpy of Vaporization: 80.05 kJ/mol; (21)Boiling Point: 468.5 °C at 760 mmHg; (22)Vapour Pressure: 4.51E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N)N(N=O)C(C(=O)O)CCCCN(N=O)NC
(2) InChI: InChI=1/C8H16N6O5/c1-10-13(11-18)5-3-2-4-6(7(15)16)14(12-19)8(9)17/h6,10H,2-5H2,1H3,(H2,9,17)(H,15,16)
(3) InChIKey: FPVUTCYSOMSORQ-UHFFFAOYAU

The toxicity data is as follows: