tert-Butyl 3-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate (877173-80-3)

The tert-Butyl 3-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate, with CAS registry number 877173-80-3, has the systematic name of tert-butyl 3-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate. Besides this, it is also called 3-piperidinepropanoic acid, 1-[(1,1-dimethylethoxy)carbonyl]-β-oxo-, ethyl ester. And the chemical formula of this chemical is C₁₅H₂₅NO₅.

Physical properties of tert-Butyl 3-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.26; (4)ACD/LogD (pH 7.4): 2.26; (5)ACD/BCF (pH 5.5): 30.83; (6)ACD/BCF (pH 7.4): 30.8; (7)ACD/KOC (pH 5.5): 404.99; (8)ACD/KOC (pH 7.4): 404.59; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 72.91 Å²; (13)Index of Refraction: 1.479; (14)Molar Refractivity: 76.31 cm³; (15)Molar Volume: 268.9 cm³; (16)Polarizability: 30.25×10^-24cm³; (17)Surface Tension: 40.4 dyne/cm; (18)Enthalpy of Vaporization: 63.49 kJ/mol; (19)Vapour Pressure: 3.64E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)CC(=O)C1CN(CCC1)C(=O)OC(C)(C)C
(2)InChI: InChI=1/C15H25NO5/c1-5-20-13(18)9-12(17)11-7-6-8-16(10-11)14(19)21-15(2,3)4/h11H,5-10H2,1-4H3
(3)InChIKey: CDKCUTDILXXPHL-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C15H25NO5/c1-5-20-13(18)9-12(17)11-7-6-8-16(10-11)14(19)21-15(2,3)4/h11H,5-10H2,1-4H3
(5)Std. InChIKey: CDKCUTDILXXPHL-UHFFFAOYSA-N