N-Cbz-3-hydroxypyrrolidine - CAS 95656-88-5
Catalog: |
BB041798 |
Product Name: |
N-Cbz-3-hydroxypyrrolidine |
CAS: |
95656-88-5 |
Synonyms: |
3-hydroxy-1-pyrrolidinecarboxylic acid (phenylmethyl) ester; benzyl 3-hydroxypyrrolidine-1-carboxylate |
IUPAC Name: | benzyl 3-hydroxypyrrolidine-1-carboxylate |
Description: | N-Cbz-3-hydroxypyrrolidine (CAS# 95656-88-5) is a useful research chemical. It is used in the preparation of sulfonyl substituted (hetero) aromatic derivatives as ROR-γ inhibitors for treatment of autoimmune diseases. |
Molecular Weight: | 221.25 |
Molecular Formula: | C12H15NO3 |
Canonical SMILES: | C1CN(CC1O)C(=O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C12H15NO3/c14-11-6-7-13(8-11)12(15)16-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2 |
InChI Key: | MBLJFGOKYTZKMH-UHFFFAOYSA-N |
Boiling Point: | 370.7 ℃ at 760 mmHg |
Density: | 1.263 g/cm3 |
MDL: | MFCD08061949 |
LogP: | 1.32770 |
Publication Number | Title | Priority Date |
WO-2021150700-A1 | N-substituted-3-tricyclyl piperidine derivatives as anticancer and neuroprotective agents | 20200122 |
CN-113072476-A | ROR gamma t inhibitor and preparation method and application thereof | 20200106 |
WO-2021139599-A1 | RORγT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 20200106 |
CN-112867712-A | Carboxamides as ubiquitin-specific protease inhibitors | 20180809 |
WO-2020009176-A1 | Amide compound having bet proteolysis-inducing action and medicinal application thereof | 20180704 |
Complexity: | 238 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.10519334 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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