InChI: | InChI=1/C13H24N2O4/c1-13(2,3)19-12(18)15-10(8-11(16)17)9-4-6-14-7-5-9/h9-10,14H,4-8H2,1-3H3,(H,15,18)(H,16,17) |
Specification: |
The CAS register number of 3-N-Boc-Amino-3-piperidin-4-ylpropionic acid is 372144-03-1. It also can be called as 4-Piperidinepropanoicacid, b-[[(1,1-dimethylethoxy)carbonyl]amino]- and the systematic name about this chemical is 3-(tert-butoxycarbonylamino)-3-(4-piperidyl)propanoic acid. The molecular formula about this chemical is C13H24N2O4 and the molecular weight is 272.34.
Physical properties about 3-N-Boc-Amino-3-piperidin-4-ylpropionic acid are: (1)ACD/LogP: 1.21; (2)#H bond acceptors: 6; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 6; (5)Polar Surface Area: 87.66Å2; (6)Index of Refraction: 1.488; (7)Molar Refractivity: 70.33 cm3; (8)Molar Volume: 244.1 cm3; (9)Polarizability: 27.88x10-24cm3; (10)Surface Tension: 40.9 dyne/cm; (11)Enthalpy of Vaporization: 76.55 kJ/mol; (12)Boiling Point: 441 °C at 760 mmHg; (13)Vapour Pressure: 5.22E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)CC(NC(=O)OC(C)(C)C)C1CCNCC1
(2)InChI: InChI=1/C13H24N2O4/c1-13(2,3)19-12(18)15-10(8-11(16)17)9-4-6-14-7-5-9/h9-10,14H,4-8H2,1-3H3,(H,15,18)(H,16,17)
(3)InChIKey: RZBQGLZGJNCPPV-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)15-10(8-11(16)17)9-4-6-14-7-5-9/h9-10,14H,4-8H2,1-3H3,(H,15,18)(H,16,17)
(5)Std. InChIKey: RZBQGLZGJNCPPV-UHFFFAOYSA-N
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