| CAS Number | 2097953-60-9 |
| Catalog Number | AG01EJIO |
| Chemical Name | 1-tert-butyl 3-methyl 3-aminoazetidine-1,3-dicarboxylate trifluoroacetic acid |
| IUPAC Name | 1-O-tert-butyl 3-O-methyl 3-aminoazetidine-1,3-dicarboxylate;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C10H18N2O4.C2HF3O2/c1-9(2,3)16-8(14)12-5-10(11,6-12)7(13)15-4;3-2(4,5)1(6)7/h5-6,11H2,1-4H3;(H,6,7) |
| InChI Key | WRJRRJCTOHSTNF-UHFFFAOYSA-N |
| MDL Number | MFCD30749802 |
| Molecular Formula | C12H19F3N2O6 |
| Molecular Weight | 344.2843 |
| SMILES | COC(C1(CN(C(OC(C)(C)C)=O)C1)N)=O.OC(C(F)(F)F)=O |
| Synonyms | 1-tert-butyl 3-methyl 3-aminoazetidine-1,3-dicarboxylate, trifluoroacetic acid,
2097953-60-9,
|
| Complexity | 386 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 344.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.287g/mol |
| Monoisotopic Mass | 344.12g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 119A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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