Basic information
- Standard SMILES
CCCCC/C=C/C(=O)N[C@H](CC(C)C)C(=O)OC- InChIKey
XHFGZOMYDUTFEB-WTNCMQEWSA-N- Molecular formula
- C15H27NO3
- Average molar mass
- 269.38 g/mol
- Monoisotopic mass
- 269.19909372
Names & identifiers
- Preferred name
- (R,E)-methyl 4-methyl-2-oct-2-enamidopentanoate
- IUPAC
- methyl (2R)-4-methyl-2-[[(E)-oct-2-enoyl]amino]pentanoate
Names & synonyms
SCHEMBL701037XHFGZOMYDUTFEB-WTNCMQEWSA-N(R,E)-methyl 4-methyl-2-oct-2-enamidopentanoate
Database identifiers
- PubChem CID
- 57527883
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 298
Related reactions
3 records
Compound notes
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