| CAS Number | 1228879-19-3 |
| Catalog Number | AG00HH59(AGN-PC-0WR2ZT) |
| Chemical Name | 1-pyrrolidinecarboxylic acid, 3-cyclopropyl-4-hydroxy-, 1,1-dimethylethyl ester, (3R,4S)-rel- |
| IUPAC Name | tert-butyl 3-cyclopropyl-4-hydroxypyrrolidine-1-carboxylate |
| InChI | InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-6-9(8-4-5-8)10(14)7-13/h8-10,14H,4-7H2,1-3H3 |
| InChI Key | GBPAFGLZEYEDNR-UHFFFAOYSA-N |
| MDL Number | MFCD11841125 |
| Molecular Formula | C12H21NO3 |
| Molecular Weight | 227.3 |
| SMILES | CC(OC(N1C[C@@H](C2CC2)[C@H](O)C1)=O)(C)C |
| Synonyms | trans-tert-Butyl 3-cyclopropyl-4-hydroxypyrrolidine-1-carboxylate,
TERT-BUTYL 3-CYCLOPROPYL-4-HYDROXY-PYRROLIDINE-1-CARBOXYLATE,
1404312-15-7,
1228879-19-3,
SCHEMBL18115862,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.304g/mol |
| Monoisotopic Mass | 227.152g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number