| CAS Number | 1219406-23-1 |
| Catalog Number | AG018IOI(AGN-PC-3H4H61) |
| Chemical Name | 2-((TERT-BUTOXYCARBONYL)AMINO)-3-(1-(TERT-BUTOXYCARBONYL)PIPERIDIN-4-YL)PROPANOIC ACID |
| IUPAC Name | 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid |
| InChI | InChI=1S/C18H32N2O6/c1-17(2,3)25-15(23)19-13(14(21)22)11-12-7-9-20(10-8-12)16(24)26-18(4,5)6/h12-13H,7-11H2,1-6H3,(H,19,23)(H,21,22) |
| InChI Key | DMJBIYDCCUIVGN-UHFFFAOYSA-N |
| MDL Number | MFCD10687137 |
| Molecular Formula | C18H32N2O6 |
| Molecular Weight | 372.4565 |
| SMILES | O=C(OC(C)(C)C)NC(C(=O)O)CC1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | 1219406-23-1,
2-((tert-butoxycarbonyl)amino)-3-(1-(tert-butoxycarbonyl)piperidin-4-yl)propanoic acid,
3-(1-Boc-piperidin-4-yl)-N-Boc-DL-alanine,
SCHEMBL6689450,
MFCD10687137,
AKOS026716979,
F2147-4282,
4-(2-tert-Butoxycarbonylamino-2-carboxy-ethyl)-piperidine-1-carboxylic acid tert-butyl ester,
|
| Complexity | 513 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 372.226g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 372.462g/mol |
| Monoisotopic Mass | 372.226g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number