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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1C2CCC1CN(CC(=O)Nc1cccc3c1CC(=O)N3)C2- InChIKey
OCYYLUOGEURHLC-UHFFFAOYSA-N- Molecular formula
- C21H28N4O4
- Average molar mass
- 400.5 g/mol
Names & identifiers
- Preferred name
- 3-[(2-Oxo-2,3-dihydro-1H-indol-4ylcarbamoyl)-methyl]-3,8-diazabicyclo[3.2.1]octan-8-carboxylic acid, 1,1-dimethylethyl Ester
- IUPAC
- tert-butyl 3-[2-oxo-2-[(2-oxo-1,3-dihydroindol-4-yl)amino]ethyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
Names & synonyms
OCYYLUOGEURHLC-UHFFFAOYSA-N3-[(2-Oxo-2,3-dihydro-1H-indol-4ylcarbamoyl)-methyl]-3,8-diazabicyclo[3.2.1]octan-8-carboxylic acid, 1,1-dimethylethyl Ester3-[(2-Oxo-2,3-dihydro-1H-indol-4ylcarbamoyl)-methyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid, 1,1-dimethylethyl ester
Database identifiers
- PubChem CID
- 86602000
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 91 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 662
Related reactions
2 records
Compound notes
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