Basic information
- Standard SMILES
CC(C)(C)OC(=O)C1CC2(CN)CCC1(C(=O)O)CC2- InChIKey
RWVHGQNCGYSHDK-UHFFFAOYSA-N- Molecular formula
- C15H25NO4
- Average molar mass
- 283.36 g/mol
Names & identifiers
- Preferred name
- Boc-4-aminomethylbicvclo-[2.2.2]octane carboxylic acid
- IUPAC
- 4-(aminomethyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]bicyclo[2.2.2]octane-1-carboxylic acid
Names & synonyms
SCHEMBL6798733RWVHGQNCGYSHDK-UHFFFAOYSA-NBoc-4-aminomethylbicvclo-[2.2.2]octane carboxylic acid
Database identifiers
- PubChem CID
- 69899061
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 416
Related reactions
2 records
Compound notes
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