(S)-N-Cbz-3-aminooxetan-2-one - CAS 26054-60-4
Catalog: |
BB019120 |
Product Name: |
(S)-N-Cbz-3-aminooxetan-2-one |
CAS: |
26054-60-4 |
Synonyms: |
N-[(3S)-2-oxo-3-oxetanyl]carbamic acid (phenylmethyl) ester; benzyl N-[(3S)-2-oxooxetan-3-yl]carbamate |
IUPAC Name: | benzyl N-[(3S)-2-oxooxetan-3-yl]carbamate |
Description: | (S)-N-Cbz-3-aminooxetan-2-one (CAS# 26054-60-4) is a compound useful in organic synthesis. |
Molecular Weight: | 221.21 |
Molecular Formula: | C11H11NO4 |
Canonical SMILES: | C1C(C(=O)O1)NC(=O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C11H11NO4/c13-10-9(7-15-10)12-11(14)16-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,14)/t9-/m0/s1 |
InChI Key: | CWFZPRQDHIUBDO-VIFPVBQESA-N |
Boiling Point: | 425.5 °C at 760 mmHg |
Density: | 1.31 g/cm3 |
Appearance: | White to yellow crystalline powder |
LogP: | 1.22910 |
Publication Number | Title | Priority Date |
TW-201817714-A | Compound for inhibiting 3C and 3CL protease and method of using same | 20160830 |
WO-2018042343-A2 | Compounds that inhibit 3c and 3cl proteases and methods of use thereof | 20160830 |
US-2019002691-A1 | Copolymer, production method thereof, and resin composition | 20151204 |
CA-2812699-A1 | Hepatitis c virus inhibitors | 20100924 |
EP-2619195-A1 | Hepatitis c virus inhibitors | 20100924 |
PMID | Publication Date | Title | Journal |
22738638 | 20120715 | Assay and inhibition of diacylglycerol lipase activity | Bioorganic & medicinal chemistry letters |
22515328 | 20120524 | N-(2-oxo-3-oxetanyl)carbamic acid esters as N-acylethanolamine acid amidase inhibitors: synthesis and structure-activity and structure-property relationships | Journal of medicinal chemistry |
20604568 | 20100812 | Synthesis and structure-activity relationships of N-(2-oxo-3-oxetanyl)amides as N-acylethanolamine-hydrolyzing acid amidase inhibitors | Journal of medicinal chemistry |
16288920 | 20051209 | Dual modes of modification of hepatitis A virus 3C protease by a serine-derived beta-lactone: selective crystallization and formation of a functional catalytic triad in the active site | Journal of molecular biology |
11871884 | 20020308 | Serine and threonine beta-lactones: a new class of hepatitis A virus 3C cysteine proteinase inhibitors | The Journal of organic chemistry |
Complexity: | 273 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.06880783 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.06880783 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 64.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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