| CAS Number | 2031258-56-5 |
| Catalog Number | AG01B69D |
| Chemical Name | 1-[(tert-butoxy)carbonyl]-4-methoxy-2-methylpyrrolidine-2-carboxylic acid |
| IUPAC Name | 4-methoxy-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C12H21NO5/c1-11(2,3)18-10(16)13-7-8(17-5)6-12(13,4)9(14)15/h8H,6-7H2,1-5H3,(H,14,15) |
| InChI Key | BEBCEUHYFOZHBR-UHFFFAOYSA-N |
| MDL Number | MFCD30344889 |
| Molecular Formula | C12H21NO5 |
| Molecular Weight | 259.2988 |
| SMILES | COC1CC(C(O)=O)(C)N(C(OC(C)(C)C)=O)C1 |
| Synonyms | 1-[(tert-butoxy)carbonyl]-4-methoxy-2-methylpyrrolidine-2-carboxylic acid,
2031258-56-5,
|
| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.302g/mol |
| Monoisotopic Mass | 259.142g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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