| CAS Number | 1803611-15-5 |
| Catalog Number | AG01B89S |
| Chemical Name | 1-[(tert-butoxy)carbonyl]-2-(propan-2-yl)pyrrolidine-3-carboxylic acid |
| IUPAC Name | 1-[(2-methylpropan-2-yl)oxycarbonyl]-2-propan-2-ylpyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C13H23NO4/c1-8(2)10-9(11(15)16)6-7-14(10)12(17)18-13(3,4)5/h8-10H,6-7H2,1-5H3,(H,15,16) |
| InChI Key | OSAGMEWXWBDKTL-UHFFFAOYSA-N |
| MDL Number | MFCD28714507 |
| Molecular Formula | C13H23NO4 |
| Molecular Weight | 257.3260 |
| SMILES | CC(C1N(C(OC(C)(C)C)=O)CCC1C(O)=O)C |
| Synonyms | 1803611-15-5,
1-[(tert-butoxy)carbonyl]-2-(propan-2-yl)pyrrolidine-3-carboxylic acid,
AKOS033781489,
Z2168541796,
1-[(tert-butoxy)carbonyl]-2-(propan-2-yl)pyrrolidine-3-carboxylic acid, Mixture of diastereomers,
|
| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.33g/mol |
| Monoisotopic Mass | 257.163g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number