| CAS Number | 661459-11-6 |
| Catalog Number | AG01DWKX(AGN-PC-0OFM38) |
| Chemical Name | 1-[(Tert-butoxy)carbonyl]-5-methylpiperidine-2-carboxylic acid |
| IUPAC Name | 5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid |
| InChI | InChI=1S/C12H21NO4/c1-8-5-6-9(10(14)15)13(7-8)11(16)17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,15) |
| InChI Key | DXLXYTLOWYXOHQ-UHFFFAOYSA-N |
| MDL Number | MFCD26398271 |
| Molecular Formula | C12H21NO4 |
| Molecular Weight | 243.2994 |
| SMILES | CC1CN(C(OC(C)(C)C)=O)C(C(O)=O)CC1 |
| Synonyms | 1-(tert-butoxycarbonyl)-5-methylpiperidine-2-carboxylic acid,
661459-11-6,
SCHEMBL5955866,
(2R,5S)-1-(tert-butoxycarbonyl)-5-methylpiperidine-2-carboxylic acid,
DXLXYTLOWYXOHQ-UHFFFAOYSA-N,
5-methyl-piperidine-1,2-dicarboxylic acid 1-tert-butyl ester,
1430078-02-6,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.303g/mol |
| Monoisotopic Mass | 243.147g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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