Basic information
- Standard SMILES
NC(CC(=O)[O-])C(=O)[O-]- InChIKey
CKLJMWTZIZZHCS-UHFFFAOYSA-L- Molecular formula
- C4H5NO4-2
- Average molar mass
- 131.09 g/mol
- Monoisotopic mass
- 131.02185764
Names & identifiers
- Preferred name
- 2-Aminobutanedioate
- IUPAC
- 2-aminobutanedioate
Names & synonyms
aspartate(2-)2-aminosuccinate2-aminobutanedioateCHEBI:29995PD159874Q27110362
Database identifiers
- PubChem CID
- 4519554
- ChEBI
CHEBI:29995- Nikkaji
- J1.181.511A
Properties
Computed structural properties
- XLogP
- -2.6
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- -2
- Complexity
- 122
Related reactions
3 records
Compound notes
Loading…