8-Azabicyclo[3.2.1]octan-3-ol; (1RS,3RS,5SR)-form, O-(2-Methylbutanoyl) 

AlkaPlorer ID: AK289920

Synonym: Isoporoidine

IUPAC Name: 8-azabicyclo[3.2.1]octan-3-yl 2-methylbutanoate

Structure

SMILES: CCC(C)C(=O)OC1CC2CCC(C1)N2

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InChI: InChI=1S/C12H21NO2/c1-3-8(2)12(14)15-11-6-9-4-5-10(7-11)13-9/h8-11,13H,3-7H2,1-2H3

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InChIKey: UUNPOIBDFMMWPX-UHFFFAOYSA-N

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Reference

PubChem CID: 12311199

COCONUT: CNP0187688.1

Properties Information

Molecule Weight: 211.30499999999995

TPSA: 38.33

MolLogP: 1.8587

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information