Basic information
- CAS
5182-91-2- Standard SMILES
CC(NC(=O)c1cnc2ccccc2n1)C(=O)O- InChIKey
AJLJCYSCNWINDZ-UHFFFAOYSA-N- Molecular formula
- C12H11N3O3
- Average molar mass
- 245.23 g/mol
- Monoisotopic mass
- 245.08004121
Names & identifiers
- Preferred name
- n-(Quinoxalin-2-ylcarbonyl)alanine
- IUPAC
- 2-(quinoxaline-2-carbonylamino)propanoic acid
Names & synonyms
n-(quinoxalin-2-ylcarbonyl)alanine2-(quinoxaline-2-carbonylamino)propanoic acid5182-91-2NSC90838DTXSID30293584N-(Quinoxaline-2-carbonyl)alanineNSC-90838AKOS009109143Z398840920
Database identifiers
- CAS
5182-91-2- PubChem CID
- 260010
- DTXSID
DTXSID30293584
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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