Basic information
- Standard SMILES
NC(CCCCB(O)O)(C(=O)O)C1CCN(c2ccc(Cl)cn2)CC1- InChIKey
QTNHCSCTRITHMI-UHFFFAOYSA-N- Molecular formula
- C16H25BClN3O4
- Average molar mass
- 369.7 g/mol
- Monoisotopic mass
- 369.1626641
Names & identifiers
- Preferred name
- 2-Amino-6-borono-2-(1-(5-chloropyridin-2-yl)piperidin-4-yl)hexanoic acid
- IUPAC
- 2-amino-6-borono-2-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]hexanoic acid
Names & synonyms
SCHEMBL895072SCHEMBL30170023QTNHCSCTRITHMI-UHFFFAOYSA-N2-amino-6-borono-2-(1-(5-chloropyridin-2-yl)piperidin-4-yl)hexanoic acid
Database identifiers
- PubChem CID
- 66833242
Properties
Computed structural properties
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 438
Related reactions
1 records
Compound notes
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