Basic information
- Standard SMILES
COC(=O)c1ccc(CN2C[C@@H]3C[C@H]2CN3)c(OC)c1- InChIKey
UAQWBXDWUIHZRI-STQMWFEESA-N- Molecular formula
- C15H20N2O3
- Average molar mass
- 276.33 g/mol
Names & identifiers
- Preferred name
- methyl 3-methoxy-4-[[(1S,4S)-2,5-diazabicyclo[2.2.1]hept-2-yl]methyl]benzoate
- IUPAC
- methyl 4-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-methoxybenzoate
Names & synonyms
SCHEMBL3032912SCHEMBL31688136UAQWBXDWUIHZRI-STQMWFEESA-Nmethyl 3-methoxy-4-[[(1S,4S)-2,5-diazabicyclo[2.2.1]hept-2-yl]methyl]benzoate
Database identifiers
- PubChem CID
- 68487145
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 363
Related reactions
3 records
Compound notes
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