Basic information
- CAS
1602-41-1- Standard SMILES
NC(=O)CCC(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O- InChIKey
OLIFDVJRECUYJH-UHFFFAOYSA-N- Molecular formula
- C11H12N4O7
- Average molar mass
- 312.24 g/mol
- Monoisotopic mass
- 312.07059873
Names & identifiers
- Preferred name
- 5-Amino-2-(2,4-dinitroanilino)-5-oxopentanoic acid
- IUPAC
- 5-amino-2-(2,4-dinitroanilino)-5-oxopentanoic acid
Names & synonyms
DNP-L-glutamineNSC896205-amino-2-(2,4-dinitroanilino)-5-oxopentanoic acid(2S)-4-carbamoyl-2-[(2,4-dinitrophenyl)amino]butanoic acidCHEMBL609459SCHEMBL27974309NSC-89620AKOS003404601ST450253942-[(2,4-dinitrophenyl)amino]-4-carbamoylbutanoic acid
Database identifiers
- CAS
1602-41-1- PubChem CID
- 259588
- ChEMBL
CHEMBL609459
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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