Basic information
- Standard SMILES
CC(=O)CC(=O)N[C@@H](CC(=O)O)C(=O)O- InChIKey
ADJUEENSUYNAPD-YFKPBYRVSA-N- Molecular formula
- C8H11NO6
- Average molar mass
- 217.18 g/mol
Names & identifiers
- Preferred name
- N-acetoacetylaspartic acid
- IUPAC
- (2S)-2-(3-oxobutanoylamino)butanedioic acid
Names & synonyms
N-acetoacetylaspartic acidN-acetoacetyl-L-aspartic acidN-aceto-acetyl-L-aspartic acidSCHEMBL10916260ADJUEENSUYNAPD-YFKPBYRVSA-N
Database identifiers
- PubChem CID
- 13334672
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 298
Related reactions
22 records
Compound notes
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