Basic information
- Standard SMILES
COC(=O)C=COC1CCC(N(C)C(=O)OC(C)(C)C)CC1- InChIKey
RTLYPTKOSGVHJB-UHFFFAOYSA-N- Molecular formula
- C16H27NO5
- Average molar mass
- 313.39 g/mol
- Monoisotopic mass
- 313.18892296
Names & identifiers
- Preferred name
- trans-3-[4-(Tert-butoxycarbonyl-methyl-amino)-cyclohexyloxy]-acrylic acid methyl ester
- IUPAC
- methyl 3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]oxyprop-2-enoate
Names & synonyms
SCHEMBL5165415SCHEMBL5165420RTLYPTKOSGVHJB-JOCQHMNTSA-Ntrans-3-[4-(tert-butoxycarbonyl-methyl-amino)-cyclohexyloxy]-acrylic acid methyl ester
Database identifiers
- PubChem CID
- 69337701
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 405
Related reactions
1 records
Compound notes
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