a-Asparagine
Basic information
- CAS
91088-28-7- Standard SMILES
NC(=O)C(CC(=O)O)NC(=O)c1ccccc1- InChIKey
WXCKJTKWJNEGKA-UHFFFAOYSA-N- Molecular formula
- C11H12N2O4
- Average molar mass
- 236.22 g/mol
- Monoisotopic mass
- 236.07970687
Names & identifiers
- Preferred name
- a-Asparagine
- IUPAC
- 4-amino-3-benzamido-4-oxobutanoic acid
Names & synonyms
91088-28-7a-asparaginen2-benzoyl-NSC120027N~2~-Benzoyl-alpha-asparagineDTXSID80298004NSC-120027
Database identifiers
- CAS
91088-28-7- PubChem CID
- 274181
- DTXSID
DTXSID80298004
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 311
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Related reactions
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Compound notes
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