3-[(3-methyl-3-sulfanylbutanoyl)amino]propanoic acid
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![3-[(3-methyl-3-sulfanylbutanoyl)amino]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b0a131e46db347fab4e012a136196347.png "3-[(3-methyl-3-sulfanylbutanoyl)amino]propanoic acid")
3-[(3-methyl-3-sulfanylbutanoyl)amino]propanoic acid
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CAS No:
131068-51-4
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Formula:
C8H15NO3S
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Chemical Name:
3-[(3-methyl-3-sulfanylbutanoyl)amino]propanoic acid
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Synonyms:
3-TMBA;N-(3-mercapto-3-methylbutyryl)-beta-alanine;131068-51-4;N-(3-Mercapto-3-methylbutyryl)-beta-alanine;3-Tmba;3-[(3-methyl-3-sulfanylbutanoyl)amino]propanoic acid;N-(3-Mercapto-3-methyl-1-oxobutyl)-beta-alanine;SCHEMBL20734738;DTXSID50156864;beta-Alanine, N-(3-mercapto-3-methyl-1-oxobutyl)-
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CAS No:
3-[(3-methyl-3-sulfanylbutanoyl)amino]propanoic acid Basic Attributes
205.28 g/mol
205.07726451 g/mol
DTXSID50156864
Computed Properties
Molecular Weight:205.28
XLogP3:-0.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:205.07726451
Monoisotopic Mass:205.07726451
Topological Polar Surface Area:67.4
Heavy Atom Count:13
Complexity:204
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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