Isovalerylglycine
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Isovalerylglycine
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CAS No:
16284-60-9
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Formula:
C7H13NO3
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Chemical Name:
Isovalerylglycine
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Synonyms:
Glycine,N-(3-methyl-1-oxobutyl)-;Glycine,N-isovaleryl-;N-(3-Methyl-1-oxobutyl)glycine;N-Isovalerylglycine;Isovalerylglycine;N-Isovaleroylglycine;2-(3-Methylbutanamido)acetic acid;2-(3-Methylbutanoylamino)acetic acid
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CAS No:
Description
Solid
N-isovalerylglycine is an N-acylglycine in which the acyl group is specified as isovaleryl. It has a role as a human urinary metabolite. It is a conjugate acid of a N-isovalerylglycinate.
Characteristics
66.40000
0.62420
1.097g/cm3
87-90 °C
371.8ºC at 760mmHg
178.7ºC
1.458
1.5E-06mmHg at 25°C
155.1 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|138.14 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Computed Properties
Molecular Weight:159.18
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:159.08954328
Monoisotopic Mass:159.08954328
Topological Polar Surface Area:66.4
Heavy Atom Count:11
Complexity:154
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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