3-tert-butyl 9-methyl 3-azaspiro[5.5]undecane-3,9-dicarboxylate - CAS 2005470-91-5
Catalog: |
BB015482 |
Product Name: |
3-tert-butyl 9-methyl 3-azaspiro[5.5]undecane-3,9-dicarboxylate |
CAS: |
2005470-91-5 |
Synonyms: |
3-azaspiro[5.5]undecane-3,9-dicarboxylic acid O3-tert-butyl ester O9-methyl ester; 3-O-tert-butyl 9-O-methyl 3-azaspiro[5.5]undecane-3,9-dicarboxylate |
IUPAC Name: | 3-O-tert-butyl 9-O-methyl 3-azaspiro[5.5]undecane-3,9-dicarboxylate |
Description: | 3-tert-butyl 9-methyl 3-azaspiro[5.5]undecane-3,9-dicarboxylate (CAS# 2005470-91-5 ) is a useful research chemical. |
Molecular Weight: | 311.422 |
Molecular Formula: | C17H29NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2(CCC(CC2)C(=O)OC)CC1 |
InChI: | InChI=1S/C17H29NO4/c1-16(2,3)22-15(20)18-11-9-17(10-12-18)7-5-13(6-8-17)14(19)21-4/h13H,5-12H2,1-4H3 |
InChI Key: | VKYQFAVQJALXKY-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
AU-2016233568-A1 | Alpha-cinnamide compounds and compositions as HDAC8 inhibitors | 20150313 |
CA-2979391-A1 | Alpha-cinnamide compounds and compositions as hdac8 inhibitors | 20150313 |
EP-3268358-A1 | Alpha-cinnamide compounds and compositions as hdac8 inhibitors | 20150313 |
KR-20170124602-A | Alpha-cinnamide compounds and compositions as HDAC8 inhibitors | 20150313 |
TW-201639811-A | α-Cassia amide compound and composition as HDAC8 inhibitor | 20150313 |
Complexity: | 409 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 311.20965841 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 311.20965841 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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