Basic information
- Standard SMILES
Cl.NCC(=O)CCC(=O)OCc1cccc([N+](=O)[O-])c1- InChIKey
WUTVPMSXDPNLKC-UHFFFAOYSA-N- Molecular formula
- C12H15ClN2O5
- Average molar mass
- 302.71 g/mol
Names & identifiers
- Preferred name
- 3-Nitrobenzyl 5-aminolevulinate hydrochloride
- IUPAC
- (3-nitrophenyl)methyl 5-amino-4-oxopentanoate;hydrochloride
Names & synonyms
3-nitrobenzyl 5-aminolevulinate hydrochloride396078-84-5SCHEMBL4493294WUTVPMSXDPNLKC-UHFFFAOYSA-N3-Nitrobenzyl 5-amino-4-oxopentanoate Hydrochloride
Database identifiers
- PubChem CID
- 21099370
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
- 340
Related reactions
2 records
Compound notes
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