Basic information
- CAS
36769-48-9- Standard SMILES
CC(C)COC(=O)C1c2ccc(O)cc2C(O)CN1C- InChIKey
LRSDNUVUJLHRAP-UHFFFAOYSA-N- Molecular formula
- C15H21NO4
- Average molar mass
- 279.33 g/mol
- Monoisotopic mass
- 279.14705815
Names & identifiers
- Preferred name
- 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-2-methyl-, isobutyl ester
- IUPAC
- 2-methylpropyl 4,6-dihydroxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate
- English name
- 1,2,3,4-Tetrahydro-4,6-dihydroxy-2-methyl-1-isoquinolinecarboxylic acid 2-methylpropyl ester
- Molecular weight
- 0
Names & synonyms
36769-48-91-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-2-methyl-, isobutyl esterRefChem:1055674BRN 04888984,6-Dihydroxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinecarboxylic acid isobutyl ester1-Isoquinolinecarboxylic acid, 4,6-dihydroxy-2-methyl-1,2,3,4-tetrahydro-, isobutyl esterDTXSID009579891,2,3,4-Tetrahydro-4,6-dihydroxy-2-methyl-1-isoquinolinecarboxylic acid 2-methylpropyl ester2-methylpropyl 4,6-dihydroxy-2-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylateDB-259073
Database identifiers
- CAS
36769-48-9- PubChem CID
- 37527
- DTXSID
DTXSID00957989- Nikkaji
- J41.125F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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