| CAS Number | 91108-84-8 |
| Catalog Number | AG019UO6(AGN-PC-0WO5RQ) |
| Chemical Name | 3-methyl-2-(3-methylbutanamido)butanoic acid |
| IUPAC Name | 3-methyl-2-(3-methylbutanoylamino)butanoic acid |
| InChI | InChI=1S/C10H19NO3/c1-6(2)5-8(12)11-9(7(3)4)10(13)14/h6-7,9H,5H2,1-4H3,(H,11,12)(H,13,14) |
| InChI Key | OPJHQXJQYXRMGN-UHFFFAOYSA-N |
| MDL Number | MFCD08444947 |
| Molecular Formula | C10H19NO3 |
| Molecular Weight | 201.2628 |
| SMILES | CC(CC(NC(C(O)=O)C(C)C)=O)C |
| Synonyms | 3-methyl-2-(3-methylbutanamido)butanoic acid,
91108-84-8,
3-METHYL-2-[(3-METHYLBUTANOYL)AMINO]BUTANOIC ACID,
AC1Q1P2S,
CTK6A6355,
AKOS000128645,
AKOS017271814,
MCULE-3457216442,
NE33804,
EN300-42274,
Z85884607,
|
| Complexity | 211 |
| 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 | 5 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number