Basic information
- CAS
72016-54-7- Standard SMILES
NC(=O)C(F)C(N)C(=O)O- InChIKey
WCDMRIWUCBOWJP-UHFFFAOYSA-N- Molecular formula
- C4H7FN2O3
- Average molar mass
- 150.11 g/mol
- Monoisotopic mass
- 150.04407025
Names & identifiers
- Preferred name
- 2,4-Diamino-3-fluoro-4-oxobutanoic acid
- IUPAC
- 2,4-diamino-3-fluoro-4-oxobutanoic acid
Names & synonyms
2,4-diamino-3-fluoro-4-oxobutanoic acidSCHEMBL865284CHEMBL153266erythro-.beta.-FluoroasparagineNSC306904NSC-306904
Database identifiers
- CAS
72016-54-7- PubChem CID
- 328461
- ChEMBL
CHEMBL153266
Properties
Computed structural properties
- XLogP
- -4
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 161
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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