| CAS Number | 1784095-47-1 |
| Catalog Number | AG01BVJK |
| Chemical Name | 1-[(tert-butoxy)carbonyl]-3-methoxypyrrolidine-3-carboxylic acid |
| IUPAC Name | 3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-6-5-11(7-12,16-4)8(13)14/h5-7H2,1-4H3,(H,13,14) |
| InChI Key | UIJNTGYEUVCROE-UHFFFAOYSA-N |
| MDL Number | MFCD28619672 |
| Molecular Formula | C11H19NO5 |
| Molecular Weight | 245.2723 |
| SMILES | C(C)(C)(C)OC(=O)N1CC(CC1)(C(=O)O)OC |
| Synonyms | 1-[(tert-butoxy)carbonyl]-3-methoxypyrrolidine-3-carboxylic acid,
1784095-47-1,
SCHEMBL2279208,
UIJNTGYEUVCROE-UHFFFAOYSA-N,
AKOS023587399,
3-methoxy-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester,
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| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.275g/mol |
| Monoisotopic Mass | 245.126g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
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