4-(Boc-amino)bicyclo[2.2.2]octane-1-carboxylic Acid - CAS 863304-76-1
Catalog: |
BB037893 |
Product Name: |
4-(Boc-amino)bicyclo[2.2.2]octane-1-carboxylic Acid |
CAS: |
863304-76-1 |
Synonyms: |
4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-bicyclo[2.2.2]octanecarboxylic acid; 4-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[2.2.2]octane-1-carboxylic acid |
IUPAC Name: | 4-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[2.2.2]octane-1-carboxylic acid |
Description: | 4-(Boc-amino)bicyclo[2.2.2]octane-1-carboxylic Acid (CAS# 863304-76-1) is a useful research chemical. |
Molecular Weight: | 269.34 |
Molecular Formula: | C14H23NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)NC12CCC(CC1)(CC2)C(=O)O |
InChI: | InChI=1S/C14H23NO4/c1-12(2,3)19-11(18)15-14-7-4-13(5-8-14,6-9-14)10(16)17/h4-9H2,1-3H3,(H,15,18)(H,16,17) |
InChI Key: | PIRWVWMHESZXMT-UHFFFAOYSA-N |
LogP: | 2.89310 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021188948-A1 | Mdm2 degraders and uses thereof | 20200319 |
WO-2021168197-A1 | Bifunctional degraders of interleukin-1 receptor-associated kinases and therapeutic use thereof | 20200219 |
US-2020347043-A1 | Modulators of the integrated stress pathway | 20190430 |
WO-2020223538-A1 | Substituted cycloalkyls as modulators of the integrated stress pathway | 20190430 |
TW-202106679-A | Modulators of the integrated stress pathway | 20190430 |
Complexity: | 372 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 269.16270821 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 269.16270821 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 75.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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