Basic information
- CAS
17340-16-8- Standard SMILES
O=C(O)CCC1N=CNC1=O- InChIKey
HEXMLHKQVUFYME-UHFFFAOYSA-N- Molecular formula
- C6H8N2O3
- Average molar mass
- 156.14 g/mol
- Monoisotopic mass
- 156.05349212
Overview
3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoic acid is an imidazol-4-one having a 2-carboxyethyl substituent at the 5-position. It has a role as a mouse metabolite. It is an imidazolone and a monocarboxylic acid. It is a conjugate acid of a 5-(2-carboxylatoethyl)-4-oxo-4,5-dihydro-1H-imidazol-5-ide and a 3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoate(1-).
Names & identifiers
- Preferred name
- 4-Imidazolone-5-propanoate
- IUPAC
- 3-(5-oxo-1,4-dihydroimidazol-4-yl)propanoic acid
- English name
- 3-(5-oxo-1,4-dihydroimidazol-4-yl)propanoic acid
- Molecular formula
- C6H8N2O3
- Molecular weight
- 0
Names & synonyms
4-imidazolone-5-propanoate4,5-dihydro-4-oxo-5-imidazolepropanoateRefChem:107098117340-16-8Imidazol-4-one-5-propionic acid3-(5-oxo-1,4-dihydroimidazol-4-yl)propanoic acid3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoic acid4-imidazolone-5-propionic acidimidazolonepropanoate1h-imidazole-4-propanoic acid, 4,5-dihydro-5-oxo-4,5-Dihydro-5-oxo-1H-imidazole-4-propanoic acid4,5-dihydro-4-oxo-5-imidazolepropanoic acid
Show more names
Histidine Impurity 6Histidine Impurity 10
imidazolone propionateimidazolone propionic acid4-imidazolone-5-propionate(S)-3-(5-oxo-4,5-dihydro-3H-imidazol-4-yl)propanoatestarbld0040813imidazolonepropanoic acidTryptophan Impurity 36imidazol-4-one-5-propionate
Database identifiers
- CAS
17340-16-8- PubChem CID
- 128
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 212
Experimental & physicochemical properties
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Metabolite PathwaysHistidine metabolism
Applications
Uses3-(5-Ooxo-1,4-dihydroimidazol-4-yl)propanoic Acid is an intermediate in the catabolism of histidine to glutamate. 3-(5-Ooxo-1,4-dihydroimidazol-4-yl)propanoic Acid is a substrate for imidazolonepropionate hydrolase and imidaz-olonepropionate oxidase.
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Additional notes
DefinitionChEBI: An imidazol-4-one having a 2-carboxyethyl substituent at the 5-position.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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