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CAS No.: | 74411-97-5 |
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Name: | (S)-2-(3-(TERT-BUTOXYCARBONYLAMINO)-2-OXOPIPERIDIN-1-YL)ACETICACID |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C12H20N2O5 |
Molecular Weight: | 272.30 |
Synonyms: | 1-Piperidineaceticacid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-oxo-, (S)-; |
Density: | 1.248 g/cm3 |
Melting Point: | 110-113 °C |
Boiling Point: | 497.878 °C at 760 mmHg |
Flash Point: | 254.908 °C |
PSA: | 95.94000 |
LogP: | 0.91550 |
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The (S)-2-(3-(tert-Butoxycarbonylamino)-2-oxopiperidin-1-yl)acetic acid is an organic compound with the formula C12H20N2O5. The systematic name of this chemical is {(3S)-3-[(tert-butoxycarbonyl)amino]-2-oxopiperidin-1-yl}acetic acid. With the CAS registry number 74411-97-5, it is also named as 1-Piperidineacetic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-oxo-, (3S)-. The product's category is Chiral Chemicals.
Physical properties about (S)-2-(3-(tert-Butoxycarbonylamino)-2-oxopiperidin-1-yl)acetic acid are: (1)ACD/LogP: 0.62; (2)ACD/LogD (pH 5.5): -2; (3)ACD/LogD (pH 7.4): -3; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 95.94 Å2; (12)Index of Refraction: 1.523; (13)Molar Refractivity: 66.706 cm3; (14)Molar Volume: 218.192 cm3; (15)Polarizability: 26.444×10-24cm3; (16)Surface Tension: 50.903 dyne/cm; (17)Density: 1.248 g/cm3; (18)Flash Point: 254.908 °C; (19)Enthalpy of Vaporization: 83.857 kJ/mol; (20)Boiling Point: 497.878 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)CCC1
(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-/m0/s1
(3)InChIKey: GLPLDJICXMMSBB-QMMMGPOBBY
(4)Std. InChI: InChI=1S/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-/m0/s1
(5)Std. InChIKey: GLPLDJICXMMSBB-QMMMGPOBSA-N