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CAS No.: | 82611-51-6 |
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Name: | (R)-2-(3-(tert-butoxycarbonylamino)-2-oxopiperidin-1-yl)acetic acid |
Article Data: | 2 |
Molecular Structure: | |
Formula: | (R)-2-(3-(Boc-amino)-2-oxopiperidin-1-yl)acetic acid |
Molecular Weight: | 272.30 |
Synonyms: | 2-[(3R)-3-(tert-butoxycarbonylamino)-2-oxo-1-piperidyl]acetic acid;1-Piperidineacetic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-oxo-, (R)-;{(3R)-3-[(tert-Butoxycarbonyl)amino]-2-oxopiperidin-1-yl}acetic acid;(R)-2-(3-(tert-Butoxycarbonylamino)-2-oxopiperidin-1-yl)acetic acid; |
Density: | 1.24 g/cm3 |
Boiling Point: | 497.9 °C at 760 mmHg |
Flash Point: | 254.9 °C |
PSA: | 95.94000 |
LogP: | 0.91550 |
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The 1-Piperidineacetic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-oxo-, (3R)-, with the CAS registry number 82611-51-6, has the systematic name of 2-[(3R)-3-(tert-butoxycarbonylamino)-2-oxo-1-piperidyl]acetic acid. And the molecular formula of this chemical is C12H20N2O5. In addition, it is also called (R)-2-(3-(tert-Butoxycarbonylamino)-2-oxopiperidin-1-yl)acetic acid.
The physical properties of 1-Piperidineacetic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-oxo-, (3R)- are as following: (1)ACD/LogP: 0.61; (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: 7; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 95.94 Å2; (11)Index of Refraction: 1.523; (12)Molar Refractivity: 66.7 cm3; (13)Molar Volume: 218.1 cm3; (14)Polarizability: 26.44×10-24cm3; (15)Surface Tension: 50.9 dyne/cm; (16)Density: 1.24 g/cm3; (17)Flash Point: 254.9 °C; (18)Enthalpy of Vaporization: 83.86 kJ/mol; (19)Boiling Point: 497.9 °C at 760 mmHg; (20)Vapour Pressure: 2.87E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N[C@@H]1CCCN(C1=O)CC(=O)O
(2)InChI: InChI=1/C12H20N2O5/c1-12(2,3)19-11(18)13-8-5-4-6-14(10(8)17)7-9(15)16/h8H,4-7H2,1-3H3,(H,13,18)(H,15,16)/t8-/m1/s1
(3)InChIKey: GLPLDJICXMMSBB-MRVPVSSYBA