6-(tert-Butoxycarbonyl)-6-azaspiro[2.5]octane-1-carboxylic acid - CAS 871727-05-8
Catalog: |
BB038313 |
Product Name: |
6-(tert-Butoxycarbonyl)-6-azaspiro[2.5]octane-1-carboxylic acid |
CAS: |
871727-05-8 |
Synonyms: |
6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid |
IUPAC Name: | 6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid |
Description: | 6-(tert-Butoxycarbonyl)-6-azaspiro[2.5]octane-1-carboxylic acid (CAS# 871727-05-8) is a useful research chemical. |
Molecular Weight: | 255.31 |
Molecular Formula: | C13H21NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2(CC1)CC2C(=O)O |
InChI: | InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-6-4-13(5-7-14)8-9(13)10(15)16/h9H,4-8H2,1-3H3,(H,15,16) |
InChI Key: | ZVMOSXHYOPBSRN-UHFFFAOYSA-N |
Purity: | 95 % |
MDL: | MFCD18071370 |
LogP: | 1.59150 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020234726-A1 | Combinations comprising benzodioxol as glp-1r agonists for use in the treatment of nash/nafld and related diseases | 20190520 |
WO-2020190827-A1 | Inhibitors of histone deacetylase useful for the treatment or prevention of hiv infection | 20190321 |
WO-2020150091-A1 | Inhibitors of histone deacetylase useful for the treatment or prevention of hiv infection | 20190115 |
WO-2020096916-A2 | Inhibitors of histone deacetylase useful for the treatment or prevention of hiv infection | 20181108 |
EP-3876928-A2 | Inhibitors of histone deacetylase useful for the treatment or prevention of hiv infection | 20181108 |
Complexity: | 364 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.14705815 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.14705815 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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