Basic information
- Standard SMILES
CC(C)(C)OC(=O)C1(C(=O)O)NCCc2ccc(O)cc21- InChIKey
VJVXFBGKIQQBIS-UHFFFAOYSA-N- Molecular formula
- C15H19NO5
- Average molar mass
- 293.31 g/mol
- Monoisotopic mass
- 293.12632271
Names & identifiers
- Preferred name
- Boc-7-hydroxy-tetrahydroisoquinoline carboxylic acid
- IUPAC
- 7-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-isoquinoline-1-carboxylic acid
Names & synonyms
SCHEMBL1202127VJVXFBGKIQQBIS-UHFFFAOYSA-Nboc-7-hydroxy-tetrahydroisoquinoline carboxylic acid
Database identifiers
- PubChem CID
- 66940410
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 430
Related reactions
3 records
Compound notes
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