(2R,6R,11S)-6,11-Dimethyl-8-borono-1,2,5,6-tetrahydro-4H-2,6-methano-benzo[d]azocine-3-carboxylic acid tert-butyl ester

HCID 58123740
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Basic information

Standard SMILES
C[C@@H]1[C@H]2Cc3ccc(B(O)O)cc3[C@]1(C)CCN2C(=O)OC(C)(C)C
InChIKey
VRGVTRNSCIWGOH-SMNXXWJPSA-N
Molecular formula
C19H28BNO4
Average molar mass
345.2 g/mol

Names & identifiers

Preferred name
(2R,6R,11S)-6,11-Dimethyl-8-borono-1,2,5,6-tetrahydro-4H-2,6-methano-benzo[d]azocine-3-carboxylic acid tert-butyl ester
IUPAC
[(1R,9R,13S)-1,13-dimethyl-10-[(2-methylpropan-2-yl)oxycarbonyl]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]boronic acid

Names & synonyms

SCHEMBL1206781VRGVTRNSCIWGOH-SMNXXWJPSA-N(2R,6R,11S)-6,11-Dimethyl-8-borono-1,2,5,6-tetrahydro-4H-2,6-methano-benzo[d]azocine-3-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
58123740

Properties

Computed structural properties

Topological polar surface area
70 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
25

Related reactions

2 records
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Compound notes

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