4-Amino-1-ethyl-4-piperidinecarboxylic acid (500756-05-8)

The 4-Amino-1-ethyl-4-piperidinecarboxylic acid, with cas registry number 500756-05-8, has the systematic name of 4-amino-1-ethylpiperidine-4-carboxylic acid.And the chemical formula of this chemical is C₈H₁₆N₂O₂.

Physical properties about this chemical are: (1)ACD/LogP: 0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.3; (4)ACD/LogD (pH 7.4): -2.67; (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: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 32.78 Å²; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 45.51 cm³; (15)Molar Volume: 153.3 cm³; (16)Polarizability: 18.04×10^-24cm³; (17)Surface Tension: 44.1 dyne/cm; (18)Enthalpy of Vaporization: 58.74 kJ/mol; (19)Vapour Pressure: 0.000398 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C1(N)CCN(CC)CC1
(2)InChI: InChI=1/C8H16N2O2/c1-2-10-5-3-8(9,4-6-10)7(11)12/h2-6,9H2,1H3,(H,11,12)
(3)InChIKey: VJNDFYVXJBBZDB-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C8H16N2O2/c1-2-10-5-3-8(9,4-6-10)7(11)12/h2-6,9H2,1H3,(H,11,12)
(5)Std. InChIKey: VJNDFYVXJBBZDB-UHFFFAOYSA-N