1029654-30-5 Purity
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The molecular formula is C15H24BN3O4.
The molecular weight is 321.18 g/mol.
The IUPAC name is [4-methyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridin-3-yl]boronic acid.
The InChI is InChI=1S/C15H24BN3O4/c1-11-9-13(17-10-12(11)16(21)22)18-5-7-19(8-6-18)14(20)23-15(2,3)4/h9-10,21-22H,5-8H2,1-4H3.
There are 2 hydrogen bond donor counts.
The exact mass is 321.1859864 g/mol.
There are 4 rotatable bond counts.
The topological polar surface area is 86.1Ų.
There are 23 heavy atoms.
Yes, the compound is canonicalized.