Basic information
- Standard SMILES
COC(=O)[C@H]1c2ccc(O)cc2CCN1C(=O)OC(C)(C)C- InChIKey
YGXXHJJSBSREHZ-CYBMUJFWSA-N- Molecular formula
- C16H21NO5
- Average molar mass
- 307.34 g/mol
Names & identifiers
- Preferred name
- (R)-2-tert-butyl 1-methyl 6-hydroxy-3,4-dihydroisoquinoline-1,2(1H)-dicarboxylate
- IUPAC
- 2-O-tert-butyl 1-O-methyl (1R)-6-hydroxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate
Names & synonyms
(R)-2-tert-butyl 1-methyl 6-hydroxy-3,4-dihydroisoquinoline-1,2(1H)-dicarboxylate935271-43-5SCHEMBL3056292YGXXHJJSBSREHZ-CYBMUJFWSA-N
Database identifiers
- PubChem CID
- 58858237
- Nikkaji
- J2.532.235E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 431
Related reactions
3 records
Compound notes
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