tert-Butyl (1S,4S)-5-(4-(methoxycarbonyl)benzyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
Basic information
- Standard SMILES
COC(=O)c1ccc(CN2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)cc1- InChIKey
RGAWJXRBKYJCHA-HOTGVXAUSA-N- Molecular formula
- C19H26N2O4
- Average molar mass
- 346.4 g/mol
Names & identifiers
- Preferred name
- tert-Butyl (1S,4S)-5-(4-(methoxycarbonyl)benzyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
- IUPAC
- tert-butyl (1S,4S)-5-[(4-methoxycarbonylphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
Names & synonyms
927679-46-7tert-Butyl (1S,4S)-5-(4-(methoxycarbonyl)benzyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate(1S,4S)-tert-butyl 5-(4-(methoxycarbonyl)benzyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylateSCHEMBL14606175RGAWJXRBKYJCHA-HOTGVXAUSA-N1,1-dimethylethyl (1S,4S)-5-[[4-(methoxycarbonyl)phenyl]methyl]-2, 5-diazabicyclo[2.2.1]heptane-2-carboxylate1,1-dimethylethyl (1S,4S)-5-[[4-(methoxycarbonyl)phenyl]methyl]-2,5-diazabicyclo[2.2.1 ]heptane-2-carboxylate1,1-Dimethylethyl (1S,4S)-5-[[4-(methoxycarbonyl)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
Database identifiers
- PubChem CID
- 71213169
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 508
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Related reactions
3 records
Compound notes
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