Basic information
- CAS
15106-57-7- Standard SMILES
NC(CC=O)C(=O)O- InChIKey
HOSWPDPVFBCLSY-UHFFFAOYSA-N- Molecular formula
- C4H7NO3
- Average molar mass
- 117.1 g/mol
- Monoisotopic mass
- 117.04259309
Names & identifiers
- Preferred name
- 2-Amino-4-oxobutanoic acid
- IUPAC
- 2-amino-4-oxobutanoic acid
- English name
- aspartic semialdehyde
- Molecular weight
- 0
Names & synonyms
2-amino-4-oxobutanoic acid15106-57-7DTXSID10934160RefChem:1062191DTXCID801447940Aspartic semialdehydeButanoic acid,2-aMino-4-oxo-Aspartic beta semialdehydealanal2-amino-4-oxo-butanoic acid498-20-4SCHEMBL468961
Show more names
SCHEMBL578361Butanoic acid, 2-amino-4-oxo-AKOS006347902
Database identifiers
- CAS
15106-57-7、498-20-4- PubChem CID
- 829
- DTXSID
DTXSID10934160- Nikkaji
- J2.359.948A
Properties
Computed structural properties
- XLogP
- -3.9
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 101
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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