Basic information
- CAS
26154-44-9- Standard SMILES
CCOC(=O)NN(C(=O)OCC)/C(C(=O)OCC)=C(/C)N- InChIKey
CJCIKNJNLZCPOI-HJWRWDBZSA-N- Molecular formula
- C12H21N3O6
- Average molar mass
- 303.31 g/mol
- Monoisotopic mass
- 303.1430354
Names & identifiers
- Preferred name
- ethyl (Z)-3-amino-2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]but-2-enoate
- IUPAC
- ethyl (Z)-3-amino-2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]but-2-enoate
Names & synonyms
NSC263784NSC263758NSC-263758NSC-263784
Database identifiers
- CAS
26154-44-9- PubChem CID
- 5358552
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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