Basic information
- Standard SMILES
COC(=O)/C=C/C(=O)OCC(=O)NCc1ccccc1- InChIKey
TUXXHBPAFNROPA-BQYQJAHWSA-N- Molecular formula
- C14H15NO5
- Average molar mass
- 277.27 g/mol
- Monoisotopic mass
- 277.09502258
Names & identifiers
- Preferred name
- Methyl [N-benzylcarbamoyl]methyl(2E)but-2-ene-1,4-dioate
- IUPAC
- 4-O-[2-(benzylamino)-2-oxoethyl] 1-O-methyl (E)-but-2-enedioate
Names & synonyms
SCHEMBL2609693TUXXHBPAFNROPA-BQYQJAHWSA-NMethyl [N-benzylcarbamoyl]methyl (2E)but-2-ene-1,4-dioateMethyl [N-benzylcarbamoyl]methyl(2E)but-2-ene-1,4-dioate
Database identifiers
- PubChem CID
- 59202045
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 372
Related reactions
3 records
Compound notes
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