| CAS Number | 954253-72-6 |
| Catalog Number | AG019WIC(AGN-PC-0WO2YL) |
| Chemical Name | 2-Methyl-2-[(propylcarbamoyl)amino]propanoic acid |
| IUPAC Name | 2-methyl-2-(propylcarbamoylamino)propanoic acid |
| InChI | InChI=1S/C8H16N2O3/c1-4-5-9-7(13)10-8(2,3)6(11)12/h4-5H2,1-3H3,(H,11,12)(H2,9,10,13) |
| InChI Key | QVBKHFOBFVWKIN-UHFFFAOYSA-N |
| MDL Number | MFCD09737635 |
| Molecular Formula | C8H16N2O3 |
| Molecular Weight | 188.2242 |
| SMILES | CCCNC(NC(C(O)=O)(C)C)=O |
| Synonyms | 2-methyl-2-[(propylcarbamoyl)amino]propanoic acid,
954253-72-6,
CHEMBL3775067,
AC1Q2Y1J,
CTK6E5298,
BDBM50151496,
ZINC22218764,
AKOS000147858,
MCULE-3555516516,
NE41105,
NCGC00326531-01,
EN300-52077,
AB01003837-01,
AB01003837-03,
Z228391810,
Alanine, 2-methyl-N-[(propylamino)carbonyl],
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.227g/mol |
| Monoisotopic Mass | 188.116g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number