4-Isopropylbenzyl 5-aminolevulinate hydrochloride

HCID 22253147
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Basic information

Standard SMILES
CC(C)c1ccc(COC(=O)CCC(=O)CN)cc1.Cl
InChIKey
WKKVBTCDQQMCQB-UHFFFAOYSA-N
Molecular formula
C15H22ClNO3
Average molar mass
299.79 g/mol
Monoisotopic mass
299.1288213

Names & identifiers

Preferred name
4-Isopropylbenzyl 5-aminolevulinate hydrochloride
IUPAC
(4-propan-2-ylphenyl)methyl 5-amino-4-oxopentanoate;hydrochloride

Names & synonyms

4-isopropylbenzyl 5-aminolevulinate hydrochloride396078-69-6SCHEMBL1177311WKKVBTCDQQMCQB-UHFFFAOYSA-NDS-0176864-Isopropylbenzyl 5-amino-4-oxopentanoate HydrochloridePentanoic acid, 5-amino-4-oxo-, [4-(1-methylethyl)phenyl]methyl ester,hydrochloride

Database identifiers

PubChem CID
22253147

Properties

Computed structural properties

Topological polar surface area
69.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
20

Related reactions

4 records
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Compound notes

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