3-Oxo-2,6-diaza-bicyclo[3.2.2]nonane-6-carboxylic acid ethyl ester
Basic information
- CAS
220828-11-5- Standard SMILES
CCOC(=O)N1CC2CCC1CC(=O)N2- InChIKey
VSPLNJPUUNMAAH-UHFFFAOYSA-N- Molecular formula
- C10H16N2O3
- Average molar mass
- 212.25 g/mol
- Monoisotopic mass
- 212.11609238
Names & identifiers
- Preferred name
- 3-Oxo-2,6-diaza-bicyclo[3.2.2]nonane-6-carboxylic acid ethyl ester
- IUPAC
- ethyl 3-oxo-2,6-diazabicyclo[3.2.2]nonane-6-carboxylate
- English name
- 1-Boc-3,9-diazabicyclo[4.2.1] heptan-4-one
- Molecular formula
- C10H16N2O3
- Molecular weight
- 212.25
Names & synonyms
220828-11-53-OXO-2,6-DIAZA-BICYCLO[3.2.2]NONANE-6-CARBOXYLIC ACID ETHYL ESTERETHYL 3-OXO-2,6-DIAZABICYCLO[3.2.2]NONANE-6-CARBOXYLATEMFCD18432598NSC379670DTXSID40331163ethyl 3-oxo-4,7-diazabicyclo[3.2.2]nonane-7-carboxylateNSC-379670SB35506DB-262470CS-03422293-Oxo-2,6-diazabicyclo[3.2.2]nonane-6-carboxylic acid ethyl ester
Show more names
1-Boc-3,9-diazabicyclo[4.2.1] heptan-4-one3-Oxo-2,6-diaza-bicyclo3.2.2none-6-carboxylic acid ethyl ester2,6-Diazabicyclo[3.2.2]nonane-6-carboxylic acid, 3-oxo-, ethyl ester
3-OXO-2,6-DIAZA-BICYCLO[3.2.2]NONANE-6-CARBOXYLICACIDETHYLESTER
Database identifiers
- CAS
220828-11-5- PubChem CID
- 435958
- DTXSID
DTXSID40331163
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 280
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Compound notes
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