Basic information
- Standard SMILES
CC(C)(C)c1ccc(COC(=O)CCC(=O)CN)cc1.Cl- InChIKey
FPTVXAGJHKDXLP-UHFFFAOYSA-N- Molecular formula
- C16H24ClNO3
- Average molar mass
- 313.82 g/mol
Names & identifiers
- Preferred name
- 4-Tert-butylbenzyl 5-aminolevulinate hydrochloride
- IUPAC
- (4-tert-butylphenyl)methyl 5-amino-4-oxopentanoate;hydrochloride
Names & synonyms
396078-74-34-tert-butylbenzyl 5-aminolevulinate hydrochlorideSCHEMBL4489763FPTVXAGJHKDXLP-UHFFFAOYSA-NDS-0014904-t-Butylbenzyl 5-amino-4-oxopentanoate HydrochloridePentanoic acid, 5-amino-4-oxo-, [4-(1,1-dimethylethyl)phenyl]methylester, hydrochloride
Database identifiers
- PubChem CID
- 22253133
Properties
Computed structural properties
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 325
Related reactions
4 records
Compound notes
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