| CAS Number | 1780899-28-6 |
| Catalog Number | AG00HZRY(AGN-PC-0WG3TY) |
| Chemical Name | 1-(Tert-Butoxycarbonyl)-4-Hydroxy-3-Methylpiperidine-3-Carboxylic Acid |
| IUPAC Name | 4-hydroxy-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid |
| InChI | InChI=1S/C12H21NO5/c1-11(2,3)18-10(17)13-6-5-8(14)12(4,7-13)9(15)16/h8,14H,5-7H2,1-4H3,(H,15,16) |
| InChI Key | YNVGTUFITNZFBB-UHFFFAOYSA-N |
| MDL Number | MFCD21364741 |
| Molecular Formula | C12H21NO5 |
| Molecular Weight | 259.2988 |
| SMILES | CC(OC(N1CC(C(O)=O)(C)C(O)CC1)=O)(C)C |
| Synonyms | 1-(tert-Butoxycarbonyl)-4-hydroxy-3-methylpiperidine-3-carboxylic acid,
1780899-28-6,
MFCD21364741,
CS-0038387,
4-Hydroxy-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid,
1-Tert-butyl 3-methyl 4-hydroxypiperidine-1,3-dicarboxylate,
406212-51-9,
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| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.302g/mol |
| Monoisotopic Mass | 259.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 87.1A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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