| CAS Number | 90891-71-7 |
| Catalog Number | AG01B81P(AGN-PC-0WOW84) |
| Chemical Name | 2-(2,2-Dimethylpropanamido)-3-methylbutanoic acid |
| IUPAC Name | 2-(2,2-dimethylpropanoylamino)-3-methylbutanoic acid |
| InChI | InChI=1S/C10H19NO3/c1-6(2)7(8(12)13)11-9(14)10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13) |
| InChI Key | OXLOTCJAYCHDBD-UHFFFAOYSA-N |
| MDL Number | MFCD08443595 |
| Molecular Formula | C10H19NO3 |
| Molecular Weight | 201.2628 |
| SMILES | CC(C(C(O)=O)NC(C(C)(C)C)=O)C |
| Synonyms | 2-(2,2-dimethylpropanamido)-3-methylbutanoic acid,
90891-71-7,
2-[(2,2-DIMETHYLPROPANOYL)AMINO]-3-METHYLBUTANOIC ACID,
SCHEMBL9805189,
CTK6A3649,
3-methyl-2-pivalamidobutanoic acid,
AKOS000126791,
AKOS017271827,
CID10198115,
2-(2,2-dimethylpropanoylamino)-3-methyl-butanoic Acid,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.266g/mol |
| Monoisotopic Mass | 201.136g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number