| CAS Number | 1803598-73-3 |
| Catalog Number | AG01ACHU |
| Chemical Name | ethyl 3-{[(tert-butoxy)carbonyl]amino}pyrrolidine-1-carboxylate |
| IUPAC Name | ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C12H22N2O4/c1-5-17-11(16)14-7-6-9(8-14)13-10(15)18-12(2,3)4/h9H,5-8H2,1-4H3,(H,13,15) |
| InChI Key | MZJWTYRYPRTYIG-UHFFFAOYSA-N |
| MDL Number | MFCD26936040 |
| Molecular Formula | C12H22N2O4 |
| Molecular Weight | 258.3141 |
| SMILES | CCOC(N1CC(NC(OC(C)(C)C)=O)CC1)=O |
| Synonyms | ethyl 3-{[(tert-butoxy)carbonyl]amino}pyrrolidine-1-carboxylate,
1803598-73-3,
SCHEMBL655026,
|
| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.318g/mol |
| Monoisotopic Mass | 258.158g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 67.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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