Isobutyrylglycine
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Isobutyrylglycine
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CAS No:
15926-18-8
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Formula:
C6H11NO3
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Chemical Name:
Isobutyrylglycine
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Synonyms:
Glycine,N-(2-methyl-1-oxopropyl)-;Glycine,N-isobutyryl-;N-(2-Methyl-1-oxopropyl)glycine;Isobutyrylglycine;N-Isobutyrylglycine;2-(Isobutyramido)acetic acid;(Isobutyrylamino)acetic acid;2-(2-Methylpropanoylamino)acetic acid;2-(Isobutyrylamino)acetic acid;2-(2-Methylpropanamido)acetic acid
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CAS No:
Description
Solid
N-isobutyrylglycine is an N-acylglycine in which the acyl group is specified as isobutryl. It has a role as a human urinary metabolite. It is a conjugate acid of a N-isobutyrylglycinate.
Characteristics
66.40000
0.23410
1.129g/cm3
103-104 °C
368.2ºC at 760mmHg
176.5ºC
1.457
0mmHg at 25°C
132.07 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|141.15 Ų [M-H]- [CCS Type: DT, Method: stepped-field]|140.7 Ų [M-H]-
Computed Properties
Molecular Weight:145.16
XLogP3:0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:145.07389321
Monoisotopic Mass:145.07389321
Topological Polar Surface Area:66.4
Heavy Atom Count:10
Complexity:142
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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