Basic information
- Standard SMILES
Cl.NCC(=O)CCC(=O)OCc1ccc([N+](=O)[O-])cc1- InChIKey
RIYJDPQEWVRNPM-UHFFFAOYSA-N- Molecular formula
- C12H15ClN2O5
- Average molar mass
- 302.71 g/mol
- Monoisotopic mass
- 302.0669493
Names & identifiers
- Preferred name
- 4-Nitrobenzyl 5-amino-4-oxopentanoate Hydrochloride
- IUPAC
- (4-nitrophenyl)methyl 5-amino-4-oxopentanoate;hydrochloride
Names & synonyms
396078-75-4SCHEMBL4495815RIYJDPQEWVRNPM-UHFFFAOYSA-N4-Nitrobenzyl 5-amino-4-oxopentanoate Hydrochloride
Database identifiers
- PubChem CID
- 22253149
Properties
Computed structural properties
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 332
Related reactions
4 records
Compound notes
Loading…