Basic information
- CAS
1207722-14-2- Standard SMILES
CCOC(=O)CNC(=O)[C@H]1C[C@H](C)CC[C@H]1C(C)C- InChIKey
GWRCTWAPTXBPHW-AGIUHOORSA-N- Molecular formula
- C15H27NO3
- Average molar mass
- 269.38 g/mol
- Monoisotopic mass
- 269.19909372
Names & identifiers
- Preferred name
- N-[[(1S,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl]carbonyl]glycine ethyl ester (
- IUPAC
- ethyl 2-[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]acetate
Names & synonyms
SCHEMBL3224970DTXSID501357500N-[[(1S,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl]carbonyl]glycine ethyl ester (1207722-14-2
Database identifiers
- CAS
1207722-14-2- PubChem CID
- 58820439
- DTXSID
DTXSID501357500
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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