Basic information
- Standard SMILES
C[C@@H]1CN(Cc2cccc(B(O)O)c2)CCN1C(=O)OC(C)(C)C- InChIKey
XADIJGAPZGNPHM-CYBMUJFWSA-N- Molecular formula
- C17H27BN2O4
- Average molar mass
- 334.2 g/mol
Names & identifiers
- Preferred name
- {3-[((3R)-4-{[(1,1-dimethylethyl)oxy]carbonyl}-3-methyl-1-piperazinyl)methyl]phenyl}boronic acid
- IUPAC
- [3-[[(3R)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]phenyl]boronic acid
Names & synonyms
SCHEMBL1364704XADIJGAPZGNPHM-CYBMUJFWSA-N{3-[((3R)-4-{[(1,1-dimethylethyl)oxy]carbonyl}-3-methyl-1-piperazinyl)methyl]phenyl}boronic acid
Database identifiers
- PubChem CID
- 67006555
Properties
Computed structural properties
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 427
Related reactions
1 records
Compound notes
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