Basic information
- CAS
125736-06-3- Standard SMILES
CC(C)(C)OC(=O)N1C2CCCC(C)(C(=O)O)C1CC2- InChIKey
SYAKLBYVHODWEP-UHFFFAOYSA-N- Molecular formula
- C15H25NO4
- Average molar mass
- 283.36 g/mol
- Monoisotopic mass
- 283.17835828
Names & identifiers
- Preferred name
- 9-Azabicyclo(4.2.1)nonane-2,9-dicarboxylic acid, 9-(1,1-dimethylethyl) 2-methyl ester, exo-
- IUPAC
- 2-methyl-9-[(2-methylpropan-2-yl)oxycarbonyl]-9-azabicyclo[4.2.1]nonane-2-carboxylic acid
Names & synonyms
125736-06-39-Azabicyclo(4.2.1)nonane-2,9-dicarboxylic acid, 9-(1,1-dimethylethyl) 2-methyl ester, exo-DTXSID00925244125736-07-49-Azabicyclo(4.2.1)nonane-2,9-dicarboxylic acid, 9-(1,1-dimethylethyl) 2-methyl ester, endo-9-(TERT-BUTOXYCARBONYL)-2-METHYL-9-AZABICYCLO[4.2.1]NONANE-2-CARBOXYLIC ACID
Database identifiers
- CAS
125736-06-3、125736-07-4- PubChem CID
- 180348
- DTXSID
DTXSID00925244
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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