2-Butenoic acid, 4-amino-4-oxo-, ethyl ester, (E)-
Basic information
- CAS
116637-00-4- Standard SMILES
CCOC(=O)C=CC(N)=O- InChIKey
NQVHELJXYAFNRV-UHFFFAOYSA-N- Molecular formula
- C6H9NO3
- Average molar mass
- 143.14 g/mol
- Monoisotopic mass
- 143.05824315
Names & identifiers
- Preferred name
- 2-Butenoic acid, 4-amino-4-oxo-, ethyl ester, (E)-
- IUPAC
- ethyl 4-amino-4-oxobut-2-enoate
Names & synonyms
116637-00-42-Butenoic acid, 4-amino-4-oxo-, ethyl ester, (E)-ethyl 4-amino-4-oxobut-2-enoateSCHEMBL1326211DTXSID80325440
Database identifiers
- CAS
116637-00-4- PubChem CID
- 350134
- DTXSID
DTXSID80325440
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 162
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Compound notes
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