![structure of ethyl (1S,5R)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylate](https://molwiki.oss-cn-hongkong.aliyuncs.com/structure/81/100055-81-0.svg)
ethyl (1S,5R)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylate
CAS No.:
100055-81-0
M. Wt:
211.25800
M. Fa:
C11H17NO3
InChI Key:
GCCIKUSQGUEKFD-HHCGNCNQSA-N
Names and Identifiers of 100055-81-0
CAS Number |
100055-81-0 |
|---|---|
IUPAC Name |
ethyl (1S,5R)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylate |
InChI |
InChI=1S/C11H17NO3/c1-3-15-11(14)10-8-5-4-7(12(8)2)6-9(10)13/h7-8,10H,3-6H2,1-2H3/t7-,8+,10?/m1/s1 |
InChIKey |
GCCIKUSQGUEKFD-HHCGNCNQSA-N |
Canonical SMILES |
CCOC(=O)C1C2CCC(N2C)CC1=O |
Isomeric SMILES |
CCOC(=O)C1[C@@H]2CC[C@@H](N2C)CC1=O |
Physical and chemical properties of 100055-81-0
Exact Mass |
211.12100 |
|---|---|
LogP |
0.53920 |
Molecular Formula |
C11H17NO3 |
Molecular Weight |
211.25800 |
PSA |
46.61000 |
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