Basic information
- CAS
481-37-8- Standard SMILES
CN1C2CCC1[C@@H](C(=O)O)[C@@H](O)C2- InChIKey
PHMBVCPLDPDESM-RLXKETGRSA-N- Molecular formula
- C9H15NO3
- Average molar mass
- 185.22 g/mol
- Monoisotopic mass
- 185.10519334
Overview
(2R,3S)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid is a tropane alkaloid.
Names & identifiers
- Preferred name
- (2R,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
- IUPAC
- (2R,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
Names & synonyms
EkgoninL-ecgonine(2R,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acidCHEMBL612017SCHEMBL1649753CHEBI:1767163-b-Hydroxy-2-b-tropanecarboxylic acid3-beta-Hydroxy-2-beta-tropanecarboxylic acid
Database identifiers
- CAS
481-37-8- PubChem CID
- 443003
- ChEMBL
CHEMBL612017- ChEBI
CHEBI:176716
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 231
Experimental & physicochemical properties
Solubility178 mg/mL
Melting Point205 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsEndoplasmic reticulum
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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