2-Acetamido-3,3-dimethylbutanoic Acid - CAS 22146-58-3
Catalog: |
BB075584 |
Product Name: |
2-Acetamido-3,3-dimethylbutanoic Acid |
CAS: |
22146-58-3 |
Synonyms: |
N-Acetyl-3-methyl-DL-valine; N-Acetyl-3-methylvaline; N-Acetyl-DL-tert-leucine |
IUPAC Name: | 2-acetamido-3,3-dimethylbutanoic acid |
Description: | 2-Acetamido-3,3-dimethylbutanoic acid |
Molecular Weight: | 173.21 |
Molecular Formula: | C8H15NO3 |
Canonical SMILES: | CC(=O)NC(C(=O)O)C(C)(C)C |
InChI: | InChI=1S/C8H15NO3/c1-5(10)9-6(7(11)12)8(2,3)4/h6H,1-4H3,(H,9,10)(H,11,12) |
InChI Key: | WPPXAQGLXQAVTE-UHFFFAOYSA-N |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.10519334 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.4Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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