Methyl phenyl 8-azabicyclo[3.2.1]octane-2,3-dicarboxylate
Basic information
- CAS
18717-72-1- Standard SMILES
COC(=O)C1C2CCC(CC1C(=O)Oc1ccccc1)N2- InChIKey
RERBBBLSJAMJFJ-UHFFFAOYSA-N- Molecular formula
- C16H19NO4
- Average molar mass
- 289.33 g/mol
- Monoisotopic mass
- 289.13140809
Names & identifiers
- Preferred name
- Methyl phenyl 8-azabicyclo[3.2.1]octane-2,3-dicarboxylate
- IUPAC
- 2-O-methyl 3-O-phenyl 8-azabicyclo[3.2.1]octane-2,3-dicarboxylate
Names & synonyms
DB-243724NS00101003METHYL PHENYL 8-AZABICYCLO[3.2.1]OCTANE-2,3-DICARBOXYLATE
Database identifiers
- CAS
18717-72-1- PubChem CID
- 29230
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 405
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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