| CAS Number | 1601475-89-1 |
| Catalog Number | AG00ABQ3 |
| Chemical Name | 1-Piperidinecarboxylic acid, 3-methyl-5-oxo-, 1,1-dimethylethyl ester, (3S)- |
| IUPAC Name | tert-butyl (3S)-3-methyl-5-oxopiperidine-1-carboxylate |
| InChI | InChI=1S/C11H19NO3/c1-8-5-9(13)7-12(6-8)10(14)15-11(2,3)4/h8H,5-7H2,1-4H3/t8-/m0/s1 |
| InChI Key | PIXOEWQIZRMJQU-QMMMGPOBSA-N |
| MDL Number | MFCD29472560 |
| Molecular Formula | C11H19NO3 |
| Molecular Weight | 213.2735 |
| SMILES | C[C@@H]1CN(CC(C1)=O)C(=O)OC(C)(C)C |
| Synonyms | (S)-tert-butyl 3-methyl-5-oxopiperidine-1-carboxylate,
1601475-89-1,
SCHEMBL19837186,
CS-B1119,
ZINC84309197,
(S)-3-Methyl-5-oxo-piperidine-1-carboxylic acid tert-butyl ester,
1-Piperidinecarboxylic acid, 3-methyl-5-oxo-, 1,1-dimethylethyl ester, (3S)-,
1601475-90-4,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.136493g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.27g/mol |
| Monoisotopic Mass | 213.136493g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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