Cyclopropanecarboxylicacid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, (1S,2S)- (259221-77-7)

The (1R,2S)-1-(tert-Butoxycarbonylamino)-2-vinylcyclopropanecarboxylic acid, with the CAS registry number 259221-77-7, is also known as Cyclopropanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, (1R,2S)- . This chemical's molecular formula is C₁₁H₁₇NO₄ and formula weight is 227.26. What's more, its systematic name is called (1R,2S)-1-[(tert-butoxycarbonyl)amino]-2-ethenylcyclopropanecarboxylic acid.

Physical properties of (1R,2S)-1-(tert-Butoxycarbonylamino)-2-vinylcyclopropanecarboxylic acid: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.62; (4)ACD/LogD (pH 7.4): -1.16; (5)ACD/BCF (pH 5.5): 1.18; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.58; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.507; (13)Molar Refractivity: 57.85 cm³; (14)Molar Volume: 194.1 cm³; (15)Surface Tension: 42.8 dyne/cm; (16)Density: 1.17 g/cm³; (17)Flash Point: 172.1 °C; (18)Enthalpy of Vaporization: 66.65 kJ/mol; (19)Boiling Point: 361 °C at 760 mmHg; (20)Vapour Pressure: 3.43E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@]1(NC(=O)OC(C)(C)C)[C@H](\C=C)C1
(2)InChI: InChI=1/C11H17NO4/c1-5-7-6-11(7,8(13)14)12-9(15)16-10(2,3)4/h5,7H,1,6H2,2-4H3,(H,12,15)(H,13,14)/t7-,11-/m1/s1
(3)InChIKey: RFAQWADNTLIWMG-RDDDGLTNBJ