(S)-3-[(S)-2-(Boc-amino)-3-hydroxypropyl]-2-pyrrolidinone - CAS 249736-45-6
Catalog: |
BB018685 |
Product Name: |
(S)-3-[(S)-2-(Boc-amino)-3-hydroxypropyl]-2-pyrrolidinone |
CAS: |
249736-45-6 |
Synonyms: |
N-[(2S)-1-hydroxy-3-[(3S)-2-oxo-3-pyrrolidinyl]propan-2-yl]carbamic acid tert-butyl ester; tert-butyl N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamate |
IUPAC Name: | tert-butyl N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamate |
Description: | Used in the preparation of Rhinovirus protease inhibitors. |
Molecular Weight: | 258.31 |
Molecular Formula: | C12H22N2O4 |
Canonical SMILES: | CC(C)(C)OC(=O)NC(CC1CCNC1=O)CO |
InChI: | InChI=1S/C12H22N2O4/c1-12(2,3)18-11(17)14-9(7-15)6-8-4-5-13-10(8)16/h8-9,15H,4-7H2,1-3H3,(H,13,16)(H,14,17)/t8-,9-/m0/s1 |
InChI Key: | IASISKBRBNTMFU-IUCAKERBSA-N |
LogP: | 1.11790 |
Publication Number | Title | Priority Date |
WO-2020247665-A1 | Peptidomimetics for the treatment of coronavirus and picornavirus infections | 20190605 |
US-2021008150-A1 | Peptidomimetics for the treatment of coronavirus and picornavirus infections | 20190605 |
WO-2018042343-A2 | Compounds that inhibit 3c and 3cl proteases and methods of use thereof | 20160830 |
US-2020071354-A1 | Peptidomimetics for the treatment of norovirus infection | 20160513 |
WO-2017197377-A1 | Peptidomimetics for the treatment of norovirus infection | 20160513 |
Complexity: | 312 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.15795719 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.15795719 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 87.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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