Basic information
- Standard SMILES
CCOC(=O)CC1CC2CCCC(C1)N2C(=O)OC(C)(C)C- InChIKey
FIQGEHFGFKKYSU-UHFFFAOYSA-N- Molecular formula
- C17H29NO4
- Average molar mass
- 311.4 g/mol
Names & identifiers
- Preferred name
- 3-Ethoxycarbonylmethyl-9-aza-bicyclo[3.3.1]nonane-9-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 3-(2-ethoxy-2-oxoethyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
Names & synonyms
SCHEMBL2922478FIQGEHFGFKKYSU-UHFFFAOYSA-N3-Ethoxycarbonylmethyl-9-aza-bicyclo[3.3.1]nonane-9-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68442000
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 401
Related reactions
3 records
Compound notes
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