8-Boc-2,4,8-triazaspiro[4.5]decane-1,3-dione - CAS 183673-70-3
Catalog: |
BB014080 |
Product Name: |
8-Boc-2,4,8-triazaspiro[4.5]decane-1,3-dione |
CAS: |
183673-70-3 |
Synonyms: |
2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylic acid tert-butyl ester; tert-butyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate |
IUPAC Name: | tert-butyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate |
Description: | A cyclic α,α-disubstituted amino acid for preparation of water-soluble highly helical peptides. |
Molecular Weight: | 269.30 |
Molecular Formula: | C12H19N3O4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC(=O)N2 |
InChI: | InChI=1S/C12H19N3O4/c1-11(2,3)19-10(18)15-6-4-12(5-7-15)8(16)13-9(17)14-12/h4-7H2,1-3H3,(H2,13,14,16,17) |
InChI Key: | DHJXKTPWDXJQEK-UHFFFAOYSA-N |
MDL: | MFCD03425517 |
LogP: | 1.19100 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021105857-A1 | 1,2,4-oxadiazole derivatives as liver x receptor agonists | 20191125 |
WO-2021078132-A1 | Inhibitors of mtor-mediated induction of autophagy | 20191021 |
US-2021206766-A1 | Spiro compounds as glycosidase inhibitors | 20180822 |
WO-2019195789-A1 | Phenothiazine derivatives and uses thereof | 20180406 |
US-2021061837-A1 | Phenothiazine derivatives and uses thereof | 20180406 |
Complexity: | 419 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 269.13755610 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 269.13755610 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 87.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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