| CAS Number | 1233518-23-4 |
| Catalog Number | AG00J219 |
| Chemical Name | tert-butyl trans-3-amino-4-ethoxy-1-pyrrolidinecarboxylate |
| IUPAC Name | tert-butyl (3R,4R)-3-amino-4-ethoxypyrrolidine-1-carboxylate |
| InChI | InChI=1S/C11H22N2O3/c1-5-15-9-7-13(6-8(9)12)10(14)16-11(2,3)4/h8-9H,5-7,12H2,1-4H3/t8-,9-/m1/s1 |
| InChI Key | FHDMKFDRCCQJTA-RKDXNWHRSA-N |
| MDL Number | MFCD09800380 |
| Molecular Formula | C11H22N2O3 |
| Molecular Weight | 230.3040 |
| SMILES | N[C@@H]1CN(C[C@H]1OCC)C(=O)OC(C)(C)C |
| Synonyms | rel-tert-Butyl (3R,4R)-3-amino-4-ethoxypyrrolidine-1-carboxylate,
1233518-23-4,
ZINC32098829,
AB52504,
DB-012583,
CS-0045565,
trans-3-Amino-1-Boc-4-ethoxypyrrolidine,
708273-40-9,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.308g/mol |
| Monoisotopic Mass | 230.163g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number