Acetic acid,2-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethoxy]- (142929-49-5)

The Boc-5-Amino-3-oxapentanoic acid with the CAS number 142929-49-5 is also called Acetic acid,2-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethoxy]-. The systematic name is {2-[(tert-butoxycarbonyl)amino]ethoxy}acetic acid. Its molecular formula is C₉H₁₇NO₅. The product category is N-BOC. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 0.55; (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: 2; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 84.86 Å²; (11)Index of Refraction: 1.462; (12)Molar Refractivity: 52.38 cm³; (13)Molar Volume: 190.4 cm³; (14)Polarizability: 20.76×10^-24cm³; (15)Surface Tension: 40.1 dyne/cm; (16)Enthalpy of Vaporization: 70.33 kJ/mol; (17)Vapour Pressure: 3.3×10^-7 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)NCCOCC(O)=O
(2)InChI: InChI=1/C9H17NO5/c1-9(2,3)15-8(13)10-4-5-14-6-7(11)12/h4-6H2,1-3H3,(H,10,13)(H,11,12)
(3)InChIKey: UPBQMAHYLWJGDW-UHFFFAOYAR