| CAS Number | 1016823-58-7 |
| Catalog Number | AG019WND(AGN-PC-0WO4P7) |
| Chemical Name | 2-methyl-2-{[(prop-2-en-1-yl)carbamoyl]amino}propanoic acid |
| IUPAC Name | 2-methyl-2-(prop-2-enylcarbamoylamino)propanoic acid |
| InChI | InChI=1S/C8H14N2O3/c1-4-5-9-7(13)10-8(2,3)6(11)12/h4H,1,5H2,2-3H3,(H,11,12)(H2,9,10,13) |
| InChI Key | KQRQIWUYGRYSIX-UHFFFAOYSA-N |
| MDL Number | MFCD09941258 |
| Molecular Formula | C8H14N2O3 |
| Molecular Weight | 186.2084 |
| SMILES | CC(C(O)=O)(NC(NCC=C)=O)C |
| Synonyms | 2-methyl-2-{[(prop-2-en-1-yl)carbamoyl]amino}propanoic acid,
1016823-58-7,
2-methyl-2-[(prop-2-en-1-ylcarbamoyl)amino]propanoic acid,
AC1Q1NN6,
CTK5J4846,
ZINC19485016,
AKOS000182410,
MCULE-5885517397,
NE27567,
NCGC00327729-01,
EN300-52484,
AB01005628-01,
AB01005628-03,
2-Methyl-2-([(prop-2-en-1-yl)carbamoyl]amino)propanoic acid, AldrichCPR,
2-methyl-2-([(prop-2-en-1-yl)carbamoyl]amino)propanoic acid,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.211g/mol |
| Monoisotopic Mass | 186.1g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number