9-Azabicyclo(4.2.1)nonane-2,9-dicarboxylic acid, 9-(1,1-dimethylethyl) ester, endo-
Basic information
- CAS
125736-03-0- Standard SMILES
CC(C)(C)OC(=O)N1C2CCCC(C(=O)O)C1CC2- InChIKey
HWOVHBASKBGPGC-UHFFFAOYSA-N- Molecular formula
- C14H23NO4
- Average molar mass
- 269.34 g/mol
- Monoisotopic mass
- 269.16270821
Names & identifiers
- Preferred name
- 9-Azabicyclo(4.2.1)nonane-2,9-dicarboxylic acid, 9-(1,1-dimethylethyl) ester, endo-
- IUPAC
- 9-[(2-methylpropan-2-yl)oxycarbonyl]-9-azabicyclo[4.2.1]nonane-2-carboxylic acid
Names & synonyms
125736-03-0125736-05-29-Azabicyclo(4.2.1)nonane-2,9-dicarboxylic acid, 9-(1,1-dimethylethyl) ester, endo-DTXSID409252439-Azabicyclo(4.2.1)nonane-2,9-dicarboxylic acid, 9-(1,1-dimethylethyl) ester, exo-9-tert-butoxycarbonyl-9-azabicyclo[4.2.1]nonane-2-carboxylic acid9-(tert-butoxycarbonyl)-9-azabicyclo[4.2.1]nonane-2-carboxylic acid1824557-82-5
Database identifiers
- CAS
125736-03-0、125736-05-2- PubChem CID
- 180347
- DTXSID
DTXSID40925243
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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