Methyl 2-(cyclohexanecarbonylamino)-3,3,3-trifluoro-2-(oxolan-2-ylmethylamino)propanoate
Basic information
- CAS
5814-43-7- Standard SMILES
COC(=O)C(NCC1CCCO1)(NC(=O)C1CCCCC1)C(F)(F)F- InChIKey
FOXPTPQAPFYJSG-UHFFFAOYSA-N- Molecular formula
- C16H25F3N2O4
- Average molar mass
- 366.38 g/mol
- Monoisotopic mass
- 366.17664177
Names & identifiers
- Preferred name
- Methyl 2-(cyclohexanecarbonylamino)-3,3,3-trifluoro-2-(oxolan-2-ylmethylamino)propanoate
- IUPAC
- methyl 2-(cyclohexanecarbonylamino)-3,3,3-trifluoro-2-(oxolan-2-ylmethylamino)propanoate
Names & synonyms
5814-43-7methyl 2-(cyclohexanecarbonylamino)-3,3,3-trifluoro-2-(oxolan-2-ylmethylamino)propanoateDTXSID50973715STK682055AKOS005596803ST4091829methyl N-(cyclohexanecarbonyl)-3,3,3-trifluoro-2-{[(oxolan-2-yl)methyl]amino}alaninatemethyl N-(cyclohexylcarbonyl)-3,3,3-trifluoro-2-[(tetrahydrofuran-2-ylmethyl)amino]alaninateN-(1,1,1-Trifluoro-3-methoxy-3-oxo-2-{[(oxolan-2-yl)methyl]amino}propan-2-yl)cyclohexanecarboximidic acid
Database identifiers
- CAS
5814-43-7- PubChem CID
- 5201577
- DTXSID
DTXSID50973715
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 480
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Related reactions
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Compound notes
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