1,3-Piperidinedicarboxylicacid, 3-amino-, 1-(1,1-dimethylethyl) ester, (3S)- (862372-92-7)

The (S)-1-Boc-3-Aminopiperidine-3-carboxylic acid, with the CAS registry number 862372-92-7, is also known as (S)-3-Amino-1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid and (S)-3-Amino-piperidine-1,3-dicarboxylic acid 1-tert-butyl ester. This chemical's molecular formula is C₁₁H₂₀N₂O₄ and molecular weight is 244.29. Its systematic name is called 1,3-Piperidinedicarboxylic acid, 3-amino-, 1-(1,1-dimethylethyl) ester, (3S)-.

Physical properties about this chemical are: (1)ACD/LogP: 0.47; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.513; (11)Molar Refractivity: 61 cm³; (12)Molar Volume: 202.9 cm³; (13)Surface Tension: 49.1 dyne/cm; (14)Density: 1.203 g/cm³; (15)Flash Point: 183.7 °C; (16)Enthalpy of Vaporization: 68.98 kJ/mol; (17)Boiling Point: 380.1 °C at 760 mmHg; (18)Vapour Pressure: 7.87E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCC[C@](C1)(C(=O)O)N
(2)InChI: InChI=1/C11H20N2O4/c1-10(2,3)17-9(16)13-6-4-5-11(12,7-13)8(14)15/h4-7,12H2,1-3H3,(H,14,15)/t11-/m0/s1
(3)InChIKey: OSYGMOYBKKZJES-NSHDSACABC