Basic information
- CAS
21161-46-6- Standard SMILES
CC(=O)NC=C(CC(=O)O)C(=O)O- InChIKey
CPBSBMPDIRRVGP-UHFFFAOYSA-N- Molecular formula
- C7H9NO5
- Average molar mass
- 187.15 g/mol
- Monoisotopic mass
- 187.04807239
Names & identifiers
- Preferred name
- Butanedioic acid, [(acetylamino)methylene]-
- IUPAC
- 2-(acetamidomethylidene)butanedioic acid
Names & synonyms
Butanedioic acid, [(acetylamino)methylene]-21161-46-6SCHEMBL639415DTXSID50331412(N-acetylaminomethylene)succinic acid
Database identifiers
- CAS
21161-46-6- PubChem CID
- 439441
- DTXSID
DTXSID50331412
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…