| CAS Number | 60050-52-4 |
| Catalog Number | AG01A9XM |
| Chemical Name | 2-(3-Methylbutanamido)-2-phenylacetic acid |
| IUPAC Name | 2-(3-methylbutanoylamino)-2-phenylacetic acid |
| InChI | InChI=1S/C13H17NO3/c1-9(2)8-11(15)14-12(13(16)17)10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3,(H,14,15)(H,16,17) |
| InChI Key | OZVJYCHWMRGCDU-UHFFFAOYSA-N |
| MDL Number | MFCD09044592 |
| Molecular Formula | C13H17NO3 |
| Molecular Weight | 235.2790 |
| SMILES | CC(CC(NC(C1=CC=CC=C1)C(O)=O)=O)C |
| Synonyms | 2-(3-methylbutanamido)-2-phenylacetic acid,
60050-52-4,
AC1Q1P2T,
SCHEMBL15730732,
AKOS000128512,
AKOS017272740,
MCULE-8124173202,
NE38683,
EN300-66486,
Z85968892,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.283g/mol |
| Monoisotopic Mass | 235.121g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number