Methyl 2-((ethoxycarbonyl)amino)but-3-enoate
Completing data — refresh the page later to see the latest
Basic information
- CAS
135630-84-1- Standard SMILES
C=CC(NC(=O)OCC)C(=O)OC- InChIKey
WDLBTKWPGDEOCY-UHFFFAOYSA-N- Molecular formula
- C8H13NO4
- Average molar mass
- 187.19 g/mol
- Monoisotopic mass
- 187.0844579
Names & identifiers
- Preferred name
- Methyl 2-((ethoxycarbonyl)amino)but-3-enoate
- IUPAC
- methyl 2-(ethoxycarbonylamino)but-3-enoate
- English name
- 3-Butenoic acid, 2-[(ethoxycarbonyl)amino]-, methyl ester
- Molecular formula
- C8H13NO4
- Molecular weight
- 187.19
Names & synonyms
Methyl 2-((ethoxycarbonyl)amino)but-3-enoate135630-84-13-Butenoic acid, 2-[(ethoxycarbonyl)amino]-, methyl ester
Database identifiers
- CAS
135630-84-1- PubChem CID
- 45119208
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 284.3 · 284.3±33.0 °C(Predicted)
- Density
- 1.089 · 1.089±0.06 g/cm3(Predicted)
- pka
- 10.68 · 10.68±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…