InChI: | InChI=1/C15H20N2O4/c1-15(2,3)21-14(20)17-8-4-5-10-6-7-11(9-12(18)19)16-13(10)17/h6-7H,4-5,8-9H2,1-3H3,(H,18,19) |
Specification: |
The Butoxy)carbonyl]-3,4-dihydro-1,8-naphthyridine-7(2H)-acetic acid with the CAS number 445492-19-3 is also called 7-Carboxymethyl-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid tert-butyl ester. The systematic name is 2-(8-tert-butoxycarbonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)acetic acid. Its molecular formula is C15H20N2O4. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the Butoxy)carbonyl]-3,4-dihydro-1,8-naphthyridine-7(2H)-acetic acid are: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 79.73 Å2; (7)Index of Refraction: 1.559; (8)Molar Refractivity: 76.01 cm3; (9)Molar Volume: 235.1 cm3; (10)Polarizability: 30.13×10-24cm3; (11)Surface Tension: 53.8 dyne/cm; (12)Enthalpy of Vaporization: 76.28 kJ/mol; (13)Vapour Pressure: 2.3×10-9 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)Cc1ccc2CCCN(c2n1)C(=O)OC(C)(C)C
(2)InChI: InChI=1/C15H20N2O4/c1-15(2,3)21-14(20)17-8-4-5-10-6-7-11(9-12(18)19)16-13(10)17/h6-7H,4-5,8-9H2,1-3H3,(H,18,19)
(3)InChIKey: KCZSLOVKEZQJNT-UHFFFAOYAW
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