(S)-[1-[[(tert-Butyl)amino]carbonyl]-2-methylpropyl]carbamic acid benzyl ester (61274-17-7)

The (S)-[1-[[(tert-Butyl)amino]carbonyl]-2-methylpropyl]carbamic acid benzyl ester, with CAS registry number 61274-17-7, has the systematic name of benzyl [1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]carbamate. Besides this, it is also called carbamic acid, N-[1-[[(1,1-dimethylethyl)amino]carbonyl]-2-methylpropyl]-, phenylmethyl ester. And the chemical formula of this chemical is C₁₇H₂₆N₂O₃.

Physical properties of (S)-[1-[[(tert-Butyl)amino]carbonyl]-2-methylpropyl]carbamic acid benzyl ester: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.06; (4)ACD/LogD (pH 7.4): 3.06; (5)ACD/BCF (pH 5.5): 123.84; (6)ACD/BCF (pH 7.4): 123.8; (7)ACD/KOC (pH 5.5): 1095.66; (8)ACD/KOC (pH 7.4): 1095.28; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 67.43 Å²; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 86.37 cm³; (15)Molar Volume: 289.8 cm³; (16)Polarizability: 34.24×10^-24cm³; (17)Surface Tension: 37.5 dyne/cm; (18)Enthalpy of Vaporization: 75.18 kJ/mol; (19)Vapour Pressure: 1.32E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)C(C(=O)NC(C)(C)C)NC(=O)OCc1ccccc1
(2)InChI: InChI=1/C17H26N2O3/c1-12(2)14(15(20)19-17(3,4)5)18-16(21)22-11-13-9-7-6-8-10-13/h6-10,12,14H,11H2,1-5H3,(H,18,21)(H,19,20)
(3)InChIKey: BUNKHVSLHKZVFF-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C17H26N2O3/c1-12(2)14(15(20)19-17(3,4)5)18-16(21)22-11-13-9-7-6-8-10-13/h6-10,12,14H,11H2,1-5H3,(H,18,21)(H,19,20)
(5)Std. InChIKey: BUNKHVSLHKZVFF-UHFFFAOYSA-N