Ethyl 1-Boc-2-oxopiperidine-4-carboxylate - CAS 1313498-26-8
Catalog: |
BB007301 |
Product Name: |
Ethyl 1-Boc-2-oxopiperidine-4-carboxylate |
CAS: |
1313498-26-8 |
Synonyms: |
2-oxopiperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-ethyl ester; 1-O-tert-butyl 4-O-ethyl 2-oxopiperidine-1,4-dicarboxylate |
IUPAC Name: | 1-O-tert-butyl 4-O-ethyl 2-oxopiperidine-1,4-dicarboxylate |
Description: | Ethyl 1-Boc-2-oxopiperidine-4-carboxylate (CAS# 1313498-26-8 ) is a useful research chemical. |
Molecular Weight: | 271.31 |
Molecular Formula: | C13H21NO5 |
Canonical SMILES: | CCOC(=O)C1CCN(C(=O)C1)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C13H21NO5/c1-5-18-11(16)9-6-7-14(10(15)8-9)12(17)19-13(2,3)4/h9H,5-8H2,1-4H3 |
InChI Key: | VLECXBXMFQBFQS-UHFFFAOYSA-N |
LogP: | 1.66110 |
Publication Number | Title | Priority Date |
EP-2948431-A1 | Btk inhibitors | 20130123 |
EP-2948431-B1 | Btk inhibitors | 20130123 |
US-2015353565-A1 | Btk inhibitors | 20130123 |
US-9446130-B2 | BTK inhibitors | 20130123 |
WO-2014113942-A1 | Btk inhibitors | 20130123 |
Complexity: | 372 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.14197277 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.14197277 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 72.9 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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