1-Oxa-5-azaspiro[2.5]octane-5-carboxylic acid tert-butyl ester - CAS 276872-90-3
Catalog: |
BB019646 |
Product Name: |
1-Oxa-5-azaspiro[2.5]octane-5-carboxylic acid tert-butyl ester |
CAS: |
276872-90-3 |
Synonyms: |
tert-butyl 1-oxa-7-azaspiro[2.5]octane-7-carboxylate |
IUPAC Name: | tert-butyl 1-oxa-7-azaspiro[2.5]octane-7-carboxylate |
Description: | 1-Oxa-5-azaspiro[2.5]octane-5-carboxylic acid tert-butyl ester (CAS# 276872-90-3) is a useful research chemical. |
Molecular Weight: | 213.27 |
Molecular Formula: | C11H19NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCCC2(C1)CO2 |
InChI: | InChI=1S/C11H19NO3/c1-10(2,3)15-9(13)12-6-4-5-11(7-12)8-14-11/h4-8H2,1-3H3 |
InChI Key: | RZXGVMMKJKHHAN-UHFFFAOYSA-N |
Boiling Point: | 297.624 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.123 g/cm3 |
MDL: | MFCD07779386 |
LogP: | 1.72420 |
Publication Number | Title | Priority Date |
US-2021115065-A1 | Compounds and compositions for the treatment of parasitic diseases | 20191021 |
WO-2021078120-A1 | Compounds and compositions for the treatment of parasitic diseases | 20191021 |
US-2021078996-A1 | Hpk1 antagonists and uses thereof | 20190913 |
US-2021078997-A1 | SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS | 20190913 |
US-2021078998-A1 | SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS | 20190913 |
Complexity: | 272 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.13649347 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.13649347 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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