Basic information
- Standard SMILES
CCCCNC(=O)COC(=O)/C=C/C(=O)OC- InChIKey
OUPDOPULPSPHAA-AATRIKPKSA-N- Molecular formula
- C11H17NO5
- Average molar mass
- 243.26 g/mol
Names & identifiers
- Preferred name
- (N-Butylcarbamoyl)methyl methyl (2E)but-2-ene-1,4-dioate
- IUPAC
- 4-O-[2-(butylamino)-2-oxoethyl] 1-O-methyl (E)-but-2-enedioate
Names & synonyms
SCHEMBL2609694OUPDOPULPSPHAA-AATRIKPKSA-N(N-Butylcarbamoyl)methyl methyl (2E)but-2-ene-1,4-dioate(N-Butylcarbamoyl)methyl methyl(2E)but-2-ene-1,4-dioate
Database identifiers
- PubChem CID
- 59202068
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 298
Related reactions
3 records
Compound notes
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