3-[2-[(1-Carboxy-3-phenylpropyl)amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid
Basic information
- CAS
120294-09-9- Standard SMILES
CC(NC(CCc1ccccc1)C(=O)O)C(=O)N1C(=O)N(C)CC1C(=O)O- InChIKey
VFAVNRVDTAPBNR-UHFFFAOYSA-N- Molecular formula
- C18H23N3O6
- Average molar mass
- 377.4 g/mol
- Monoisotopic mass
- 377.15868546
Names & identifiers
- Preferred name
- 3-[2-[(1-Carboxy-3-phenylpropyl)amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid
- IUPAC
- 3-[2-[(1-carboxy-3-phenylpropyl)amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid
- English name
- imidaprilat
- Molecular formula
- C18H23N3O6
- Molecular weight
- 377.39
Names & synonyms
120294-09-93-[2-[(1-carboxy-3-phenylpropyl)amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid6366A; Imidaprilat3-(2-((1-Carboxy-3-phenylpropyl)amino)propanoyl)-1-methyl-2-oxoimidazolidine-4-carboxylic acidImidapril Impurity N1SCHEMBL683544CHEMBL3184451DTXCID0031639DTXSID001356769GEC01969Tox21_113982NCGC00274279-01
Show more names
4-Imidazolidinecarboxylic acid, 3-[2-[(1-carboxy-3-phenylpropyl)amino]-1-oxopropyl]-1-methyl-2-oxo-
3(2-((1-Carboxy-3-phenylpropyl)amino)-1-oxopropyl)-1-methyl-2-oxo-4-imidazolidinecarboxylic acidCAS-89371-44-83-[N-(1-Carboxy-3-phenylpropyl)alanyl]-1-methyl-2-oxo-4-imidazolidinecarboxylic acid
Database identifiers
- CAS
120294-09-9- PubChem CID
- 129109
- DTXSID
DTXSID001356769- ChEMBL
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 590
Physicochemical properties
- Boiling point
- 592.1 · 592.1±60.0 °C(Predicted)
- Density
- 1.356 · 1.356±0.06 g/cm3(Predicted)
- pka
- 2.17 · 2.17±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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