N-Boc-3-ethylmorpholine-3-carboxylic Acid - CAS 1205749-44-5
Catalog: |
BB004915 |
Product Name: |
N-Boc-3-ethylmorpholine-3-carboxylic Acid |
CAS: |
1205749-44-5 |
Synonyms: |
3-ethyl-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-morpholinecarboxylic acid; 3-ethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid |
IUPAC Name: | 3-ethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid |
Description: | N-Boc-3-ethylmorpholine-3-carboxylic Acid (CAS# 1205749-44-5) is a useful research chemical. |
Molecular Weight: | 259.30 |
Molecular Formula: | C12H21NO5 |
Canonical SMILES: | CCC1(COCCN1C(=O)OC(C)(C)C)C(=O)O |
InChI: | InChI=1S/C12H21NO5/c1-5-12(9(14)15)8-17-7-6-13(12)10(16)18-11(2,3)4/h5-8H2,1-4H3,(H,14,15) |
InChI Key: | SOHNOCHHIWUYFV-UHFFFAOYSA-N |
LogP: | 1.42500 |
Publication Number | Title | Priority Date |
EP-2688872-A1 | Amidopyrazole inhibitors of interleukin receptor-associated kinases | 20110322 |
US-2014194404-A1 | Amidopyrazole inhibitors of interleukin receptor-associated kinases | 20110322 |
US-9169260-B2 | Amidopyrazole inhibitors of interleukin receptor-associated kinases | 20110322 |
Complexity: | 336 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.14197277 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.14197277 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 76.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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