(2S)-2-acetamido-3,3-dimethylbutanoic acid


Chemical Name: (2S)-2-acetamido-3,3-dimethylbutanoic acid
CAS Number: 22146-59-4
Product Number: AG01C136(AG01C136)
Synonyms:
MDL No:
Molecular Formula: C8H15NO3
Molecular Weight: 173.2096

Identification/Properties


Computed Properties
Molecular Weight:
173.21g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
173.105193g/mol
Monoisotopic Mass:
173.105193g/mol
Topological Polar Surface Area:
66.4Ų
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
193
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



The (S)-2-acetamido-3,3-dimethylbutanoic acid is a valuable compound widely utilized in chemical synthesis as a chiral building block. Its stereochemistry allows for precise control over the orientation of functional groups in a molecule, making it a crucial component in the development of pharmaceuticals, agrochemicals, and advanced materials. By incorporating (S)-2-acetamido-3,3-dimethylbutanoic acid into synthetic pathways, chemists can create intricate molecular structures with enhanced biological activity or specific physical properties. Its utility in asymmetric synthesis and asymmetric catalysis further highlights its versatility in the field of organic chemistry.