Ethyl 1-Boc-3-(2-oxoethyl)piperidine-3-carboxylate - CAS 852339-65-2
Catalog: |
BB037547 |
Product Name: |
Ethyl 1-Boc-3-(2-oxoethyl)piperidine-3-carboxylate |
CAS: |
852339-65-2 |
Synonyms: |
3-(2-oxoethyl)piperidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-ethyl ester; 1-O-tert-butyl 3-O-ethyl 3-(2-oxoethyl)piperidine-1,3-dicarboxylate |
IUPAC Name: | 1-O-tert-butyl 3-O-ethyl 3-(2-oxoethyl)piperidine-1,3-dicarboxylate |
Description: | Ethyl 1-Boc-3-(2-oxoethyl)piperidine-3-carboxylate (CAS# 852339-65-2 ) is a useful research chemical. |
Molecular Weight: | 299.36 |
Molecular Formula: | C15H25NO5 |
Canonical SMILES: | CCOC(=O)C1(CCCN(C1)C(=O)OC(C)(C)C)CC=O |
InChI: | InChI=1S/C15H25NO5/c1-5-20-12(18)15(8-10-17)7-6-9-16(11-15)13(19)21-14(2,3)4/h10H,5-9,11H2,1-4H3 |
InChI Key: | BMJSZENFCMHBAZ-UHFFFAOYSA-N |
LogP: | 2.09370 |
Publication Number | Title | Priority Date |
AU-2005304560-A1 | Lactam compounds and their use as pharmaceuticals | 20041110 |
AU-2005304560-B2 | Lactam compounds and their use as pharmaceuticals | 20041110 |
AU-2005304560-C1 | Lactam compounds and their use as pharmaceuticals | 20041110 |
AU-2012211350-A1 | Lactam compounds and their use as pharmaceuticals | 20041110 |
CA-2585797-A1 | Lactam compounds and their use as pharmaceuticals | 20041110 |
Complexity: | 401 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 299.1732729 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 299.1732729 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 72.9 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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