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O-acetyltropine

AlkaPlorer ID: AK003184

Synonym: '', 'Acetyltropine', 'endo-3-Acetoxy-8-methyl-8-azabicyclo3.2.1octane', '3beta-Acetoxytropane', '3-Acetyltropine', 'O-Acetylpseudotropine', '3alpha-Acetoxytropane', 'Tropine acetate (ester)', 'O-Acetyltropine', 'Tropyl acetate', 'Acetylpseudotropine', 'Tropan-3a-ol acetate (ester)', 'endo-8-methyl-8-azabicyclo3.2.1octan-3-ol acetate (ester)'

IUPAC Name: [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] acetate

Structure

SMILES: CC(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2C

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InChI: InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3/t8-,9+,10+

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InChIKey: MDIDMOWWLBGYPG-MYJAWHEDSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Brugmansia suaveolens Brugmansia Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 183.251

TPSA？: 29.54

MolLogP？: 1.1747

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT004532 CC(=O)[CoA].CN1[C@H]2CC[C@@H]1C[C@H](O)C2>>CC(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C enzymemap_29331