Basic information
- CAS
649765-19-5- Standard SMILES
COC(=O)[C@@H]1CCCCCC[C@@H]1N- InChIKey
FIFIYSYQCCIIQH-BDAKNGLRSA-N- Molecular formula
- C10H19NO2
- Average molar mass
- 185.26 g/mol
- Monoisotopic mass
- 185.14157885
Names & identifiers
- Preferred name
- Cis-2-amino-cyclooctanecarboxylic acid methyl ester
- IUPAC
- cis-methyl (1R,2S)-2-aminocyclooctane-1-carboxylate
Names & synonyms
649765-19-5cis-2-amino-cyclooctanecarboxylic acid methyl esterDTXSID60469492RefChem:334220DTXCID50420310Methyl (1R,2S)-2-aminocyclooctane-1-carboxylateSCHEMBL4479086FIFIYSYQCCIIQH-BDAKNGLRSA-NEN300-1091534
Database identifiers
- CAS
649765-19-5- PubChem CID
- 11615492
- DTXSID
DTXSID60469492- Nikkaji
- J1.995.342D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 170
Related reactions
2 records
Compound notes
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