| CAS Number | 1432678-96-0 |
| Catalog Number | AG01A3V2 |
| Chemical Name | Methyl 4-([(tert-butoxy)carbonyl]amino)-2-methyl-1h-pyrrole-3-carboxylate |
| IUPAC Name | methyl 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-3-carboxylate |
| InChI | InChI=1S/C12H18N2O4/c1-7-9(10(15)17-5)8(6-13-7)14-11(16)18-12(2,3)4/h6,13H,1-5H3,(H,14,16) |
| InChI Key | VYQURFPQMOHHEF-UHFFFAOYSA-N |
| MDL Number | MFCD24369089 |
| Molecular Formula | C12H18N2O4 |
| Molecular Weight | 254.2823 |
| SMILES | COC(C1C(NC(OC(C)(C)C)=O)=CNC=1C)=O |
| Synonyms | methyl 4-{[(tert-butoxy)carbonyl]amino}-2-methyl-1H-pyrrole-3-carboxylate,
1432678-96-0,
ZINC95218194,
AKOS033456172,
MCULE-1909734620,
NE53852,
Z1601555090,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.286g/mol |
| Monoisotopic Mass | 254.127g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 80.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number