5-([tert-Butoxycarbonylamino]methyl)pyridine-3-boronicacidpinacolester

• CAS: 1257554-93-0
• Catalog Number: ACM1257554930
• Category: Boronic Esters
• Molecular Weight: 334.218
• Molecular Formula: C₁₇H₂₇BN₂O₄

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C17H29BN2O5.

What is the molecular weight of the compound?

The molecular weight of the compound is 352.2 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridin-3-yl]borinic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C17H29BN2O5/c1-15(2,3)24-14(21)20-10-12-8-13(11-19-9-12)18(23)25-17(6,7)16(4,5)22/h8-9,11,22-23H,10H2,1-7H3,(H,20,21).

What is the InChIKey of the compound?

The InChIKey of the compound is NGQICYKHVPQMPB-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is B(C1=CC(=CN=C1)CNC(=O)OC(C)(C)C)(O)OC(C)(C)C(C)(C)O.

How many hydrogen bond donor counts does the compound have?

The compound has 3 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 6 hydrogen bond acceptor counts.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 101Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.