Ethyl 3-(1-Boc-3-pyrrolidinyl)-3-oxopropanoate - CAS 889955-52-6
Catalog: |
BB039309 |
Product Name: |
Ethyl 3-(1-Boc-3-pyrrolidinyl)-3-oxopropanoate |
CAS: |
889955-52-6 |
Synonyms: |
3-(3-ethoxy-1,3-dioxopropyl)-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl 3-(3-ethoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate |
IUPAC Name: | tert-butyl 3-(3-ethoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate |
Description: | Ethyl 3-(1-Boc-3-pyrrolidinyl)-3-oxopropanoate (CAS# 889955-52-6 ) is a useful research chemical. |
Molecular Weight: | 285.34 |
Molecular Formula: | C14H23NO5 |
Canonical SMILES: | CCOC(=O)CC(=O)C1CCN(C1)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C14H23NO5/c1-5-19-12(17)8-11(16)10-6-7-15(9-10)13(18)20-14(2,3)4/h10H,5-9H2,1-4H3 |
InChI Key: | XJQOTLQCHLIYFO-UHFFFAOYSA-N |
LogP: | 1.70360 |
Publication Number | Title | Priority Date |
US-2020048242-A1 | Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases | 20180809 |
US-11053235-B2 | Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases | 20180809 |
WO-2020001448-A1 | Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases | 20180626 |
AU-2019296117-A1 | Dihydropyrimidine derivatives and uses thereof in the treatment of HBV infection or of HBV-induced diseases | 20180626 |
CA-3099605-A1 | Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases | 20180626 |
Complexity: | 386 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.15762283 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 285.15762283 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 72.9 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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