(S)-2-{[(Isoquinolin-3-ylmethyl)-amino]-methyl}-pyrrolidine-1-carboxylic acid tert-butyl ester
Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1CNCc1cc2ccccc2cn1- InChIKey
PROBNZOGMYECKV-SFHVURJKSA-N- Molecular formula
- C20H27N3O2
- Average molar mass
- 341.4 g/mol
Names & identifiers
- Preferred name
- (S)-2-{[(Isoquinolin-3-ylmethyl)-amino]-methyl}-pyrrolidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (2S)-2-[(isoquinolin-3-ylmethylamino)methyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL5100655PROBNZOGMYECKV-SFHVURJKSA-N(S)-2-{[(Isoquinolin-3-ylmethyl)-amino]-methyl}-pyrrolidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 58622151
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 449
Related reactions
1 records
Compound notes
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