2-Azabicyclo(2.2.1)heptane-5-carboxylic acid, 2-methyl-5-phenyl-, ethyl ester, hydrochloride, (1S,4R,5R)-
Basic information
- CAS
17908-37-1- Standard SMILES
CCOC(=O)[C@]1(c2ccccc2)C[C@@H]2C[C@H]1CN2C.Cl- InChIKey
QVKCBUAOMOWWHM-LRRYJFTCSA-N- Molecular formula
- C16H22ClNO2
- Average molar mass
- 295.8 g/mol
- Monoisotopic mass
- 295.1339066
Names & identifiers
- Preferred name
- 2-Azabicyclo(2.2.1)heptane-5-carboxylic acid, 2-methyl-5-phenyl-, ethyl ester, hydrochloride, (1S,4R,5R)-
- IUPAC
- ethyl (1S,4R,5R)-2-methyl-5-phenyl-2-azabicyclo[2.2.1]heptane-5-carboxylate;hydrochloride
Names & synonyms
(1S:4R:5R)-2-Methyl-5-phenyl-5-carbethoxy-2-azabicyclo(2.2.1)heptane hydrochloride17908-37-12-Azabicyclo(2.2.1)heptane-5-carboxylic acid, 2-methyl-5-phenyl-, ethyl ester, hydrochloride, (1S,4R,5R)-RefChem:256120DTXSID30939177Ethyl 2-methyl-5-phenyl-2-azabicyclo[2.2.1]heptane-5-carboxylate--hydrogen chloride (1/1)Ethyl (1S,4R,5R)-2-methyl-5-phenyl-2-azabicyclo[2.2.1]heptane-5-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
17908-37-1- PubChem CID
- 205393
- DTXSID
DTXSID30939177
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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