N-(3-Methyl-1-oxobutyl)-L-alanine
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N-(3-Methyl-1-oxobutyl)-L-alanine
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CAS No:
68219-63-6
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Formula:
C8H15NO3
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Chemical Name:
N-(3-Methyl-1-oxobutyl)-L-alanine
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Synonyms:
L-Alanine,N-(3-methyl-1-oxobutyl)-;N-(3-Methyl-1-oxobutyl)-L-alanine;N-Isovalerylalanine;Isovalerylalanine;(2S)-2-(3-Methylbutanamido)propanoic acid
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CAS No:
Description
Solid
N-isovaleryl-L-alanine is an N-acyl-L-alanine resulting from the formal condensation of carboxy group of isovaleric acid with the amino group of L-alanine. It has a role as a human blood serum metabolite. It derives from an isovaleric acid.
Computed Properties
Molecular Weight:173.21
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:173.10519334
Monoisotopic Mass:173.10519334
Topological Polar Surface Area:66.4
Heavy Atom Count:12
Complexity:177
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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