| CAS Number | 2010955-43-6 |
| Catalog Number | AG00I3RA(AGN-PC-0WR4CG) |
| Chemical Name | 2-Allyl-1-Boc-pipecolic acid ethyl ester |
| IUPAC Name | 1-O-tert-butyl 2-O-ethyl 2-prop-2-enylpiperidine-1,2-dicarboxylate |
| InChI | InChI=1S/C16H27NO4/c1-6-10-16(13(18)20-7-2)11-8-9-12-17(16)14(19)21-15(3,4)5/h6H,1,7-12H2,2-5H3 |
| InChI Key | CIJLMTWZPMPZHX-UHFFFAOYSA-N |
| MDL Number | MFCD30182432 |
| Molecular Formula | C16H27NO4 |
| Molecular Weight | 297.3899 |
| SMILES | CCOC(=O)C1(CC=C)CCCCN1C(=O)OC(C)(C)C |
| Synonyms | 2-Allyl-1-Boc-pipecolic acid ethyl ester,
2010955-43-6,
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| Complexity | 400 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.395g/mol |
| Monoisotopic Mass | 297.194g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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