1-Boc-3-hydroxyazetidine-3-carbonitrile - CAS 1493737-08-8
Catalog: |
BB010400 |
Product Name: |
1-Boc-3-hydroxyazetidine-3-carbonitrile |
CAS: |
1493737-08-8 |
Synonyms: |
3-cyano-3-hydroxy-1-azetidinecarboxylic acid tert-butyl ester; tert-butyl 3-cyano-3-hydroxyazetidine-1-carboxylate |
IUPAC Name: | tert-butyl 3-cyano-3-hydroxyazetidine-1-carboxylate |
Description: | 1-Boc-3-hydroxyazetidine-3-carbonitrile (CAS# 1493737-08-8) is a useful research chemical. |
Molecular Weight: | 198.22 |
Molecular Formula: | C9H14N2O3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC(C1)(C#N)O |
InChI: | InChI=1S/C9H14N2O3/c1-8(2,3)14-7(12)11-5-9(13,4-10)6-11/h13H,5-6H2,1-3H3 |
InChI Key: | ORIZOARFGLMZHN-UHFFFAOYSA-N |
LogP: | 0.42968 |
Publication Number | Title | Priority Date |
WO-2021190727-A1 | Compounds and their use in the treatment of bacterial infection | 20200324 |
EP-2763990-B1 | Pyrrolopyrazine kinase inhibitors | 20110901 |
Complexity: | 291 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.10044231 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.10044231 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 73.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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