4,5-Dihydro-5-oxo-1H-imidazole-4-propanoic acid
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4,5-Dihydro-5-oxo-1H-imidazole-4-propanoic acid
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CAS No:
17340-16-8
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Formula:
C6H8N2O3
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Chemical Name:
4,5-Dihydro-5-oxo-1H-imidazole-4-propanoic acid
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Synonyms:
1H-Imidazole-4-propanoic acid,4,5-dihydro-5-oxo-;2-Imidazoline-4-propionic acid,5-oxo-;2-Imidazoline-4(or 5)-propionic acid,5(or 4)-oxo-;4,5-Dihydro-5-oxo-1H-imidazole-4-propanoic acid
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CAS No:
Description
Solid
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-).
Computed Properties
Molecular Weight:156.14
XLogP3:-0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:156.05349212
Monoisotopic Mass:156.05349212
Topological Polar Surface Area:78.8
Heavy Atom Count:11
Complexity:212
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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