The Boc-L-Val-nitrile, with the CAS registry number 216319-90-3, has the systematic name of tert-butyl N-[(1S)-1-cyano-2-methyl-propyl]carbamate. It is also called Boc-L-Val-nitrile, and it belongs to the product category of N-BOC. The molecular formula of the chemical is C₁₀H₁₈N₂O₂.

The characteristics of Boc-L-Val-nitrile are as followings: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.754; (4)ACD/LogD (pH 7.4): 1.753; (5)ACD/BCF (pH 5.5): 12.679; (6)ACD/BCF (pH 7.4): 12.652; (7)ACD/KOC (pH 5.5): 214.395; (8)ACD/KOC (pH 7.4): 213.934; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 62.12 Å²; (13)Index of Refraction: 1.448; (14)Molar Refractivity: 53.544 cm³; (15)Molar Volume: 200.086 cm³; (16)Polarizability: 21.226×10^-24cm³; (17)Surface Tension: 33.355 dyne/cm; (18)Density: 0.991 g/cm³; (19)Flash Point: 136.982 °C; (20)Enthalpy of Vaporization: 54.314 kJ/mol; (21)Boiling Point: 302.888 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(C)[C@@H](C#N)NC(=O)OC(C)(C)C
(2)InChI: InChI=1/C10H18N2O2/c1-7(2)8(6-11)12-9(13)14-10(3,4)5/h7-8H,1-5H3,(H,12,13)/t8-/m1/s1
(3)InChIKey: HWOVCNHAYAEVSJ-MRVPVSSYBS