| CAS Number | 1909309-86-9 |
| Catalog Number | AG01C53P |
| Chemical Name | 1-[(tert-butoxy)carbonyl]-5-cyclopropylpyrrolidine-2-carboxylic acid |
| IUPAC Name | 5-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-9(8-4-5-8)6-7-10(14)11(15)16/h8-10H,4-7H2,1-3H3,(H,15,16) |
| InChI Key | ZVUAUTKZKOZPQQ-UHFFFAOYSA-N |
| MDL Number | MFCD29907056 |
| Molecular Formula | C13H21NO4 |
| Molecular Weight | 255.3101 |
| SMILES | CC(OC(N1C(C(O)=O)CCC1C1CC1)=O)(C)C |
| Synonyms | 1-[(tert-butoxy)carbonyl]-5-cyclopropylpyrrolidine-2-carboxylic acid,
1909309-86-9,
|
| Complexity | 357 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.314g/mol |
| Monoisotopic Mass | 255.147g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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