Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(S)-2-(3-(tert-Butoxycarbonylamino)-2-oxopiperidin-1-yl)acetic acid |
EINECS | N/A |
CAS No. | 74411-97-5 | Density | 1.248 g/cm3 |
PSA | 95.94000 | LogP | 0.91550 |
Solubility | N/A | Melting Point |
110-113 °C |
Formula | C12H20N2O5 | Boiling Point | 497.878 °C at 760 mmHg |
Molecular Weight | 272.30 | Flash Point | 254.908 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Piperidineaceticacid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-oxo-, (S)-; |
Article Data | 7 |
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