Basic information
- Standard SMILES
NC(Cc1nc2ccccc2nc1CP(=O)(O)O)C(=O)O- InChIKey
QKDTVZWQNXQUSK-UHFFFAOYSA-N- Molecular formula
- C12H14N3O5P
- Average molar mass
- 311.23 g/mol
Names & identifiers
- Preferred name
- alpha-Amino-3-(phosphonomethyl)-2-quinoxalinepropanoic Acid
- IUPAC
- 2-amino-3-[3-(phosphonomethyl)quinoxalin-2-yl]propanoic acid
Names & synonyms
143153-94-0CHEMBL324706SCHEMBL1429155QKDTVZWQNXQUSK-UHFFFAOYSA-Nalpha-Amino-3-(phosphonomethyl)-2-quinoxalinepropanoic Acid
Database identifiers
- PubChem CID
- 10470686
- ChEMBL
CHEMBL324706- Nikkaji
- J534.473E
Properties
Computed structural properties
- XLogP
- -4.1
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 429
Related reactions
2 records
Compound notes
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