(2S,3S)-2-amino-3-methylbutanedioic acid
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(2S,3S)-2-amino-3-methylbutanedioic acid
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CAS No:
642-92-2
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Formula:
C5H9NO4
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Chemical Name:
(2S,3S)-2-amino-3-methylbutanedioic acid
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Synonyms:
threo-3-methyl-L-aspartic acid;6061-13-8;(2S,3S)-2-Amino-3-methylsuccinic acid;L-threo-3-methylaspartate;(3S)-3-methyl-L-aspartic acid;UNII-X72YFG5KQE;X72YFG5KQE;CHEBI:47980;(2s,3s)-3-Methyl-Aspartic Acid;2S,3S-3-METHYLASPARTIC ACID;(2S,3S)-2-amino-3-methylbutanedioic acid;2AS;L-Aspartic acid, 3-methyl-, (3S)-;(2s,3s)-3-methylaspartate;CHEMBL76739;L-Threo-3-methylaspartic acid;SCHEMBL2895827;(2s,3s)-3-methylaspartic acid;Threo-beta-methyl-L-aspartic acid;ZINC901781;3-Methyl-L-aspartic acid, (3S)-;9056AB;DB04538;C03618;Q17037089;UNII-T38VAO1ARZ component LXRUAYBIUSUULX-HRFVKAFMSA-N
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CAS No:
Description
Threo-3-methyl-L-aspartic acid is an aspartic acid derivative having a 3-methyl substituent. It is a non-proteinogenic L-alpha-amino acid and an amino dicarboxylic acid. It is a conjugate acid of a threo-3-methyl-L-aspartate(1-).
(2S,3S)-2-amino-3-methylbutanedioic acid Basic Attributes
147.13 g/mol
147.05315777 g/mol
X72YFG5KQE
Computed Properties
Molecular Weight:147.13
XLogP3:-3.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:147.05315777
Monoisotopic Mass:147.05315777
Topological Polar Surface Area:101
Heavy Atom Count:10
Complexity:156
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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