Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC[C@]2(CCN(c3ccc(N)cc3)C2)C1- InChIKey
NJCDPLHVDRZUFK-SFHVURJKSA-N- Molecular formula
- C18H27N3O2
- Average molar mass
- 317.4 g/mol
Names & identifiers
- Preferred name
- (S)-7-(4-amino-phenyl)-2,7-diaza-spiro[4.4]nonane-2-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (5S)-7-(4-aminophenyl)-2,7-diazaspiro[4.4]nonane-2-carboxylate
Names & synonyms
SCHEMBL4303345NJCDPLHVDRZUFK-SFHVURJKSA-N(S)-7-(4-amino-phenyl)-2,7-diaza-spiro[4.4]nonane-2-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68994472
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 58.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 440
Related reactions
2 records
Compound notes
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