MeAIB

Chemical Information
Alpha-(methylamino)isobutyric acid is a non-proteinogenic alpha-amino acid that is isobutyric acid in which the alpha-hydrogen has been replaced by a methylamino group. It has a role as a human urinary metabolite. It is an alanine derivative, a secondary amino compound and a non-proteinogenic alpha-amino acid. It is functionally related to an isobutyric acid. It is a tautomer of a N-methyl-aminoisobutyrate zwitterion.
| CAS Number | 2566-34-9 |
| PubChem CID | 75725 |
| IUPAC Name | 2-methyl-2-(methylamino)propanoic acid |
| Molecular Formula | C5H11NO2 |
| Molecular Weight | 117.15 |
| XLogP | -2.3 |
| Topological Polar Surface Area | 49.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 98 |
| Property | Value |
|---|---|
| Molecular Weight | 117.15 |
| XLogP3 | -2.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 117.078978594 |
| Monoisotopic Mass | 117.078978594 |
| Topological Polar Surface Area | 49.3 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 98.6 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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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