(3R,4R)-4-Methoxy-1-methyl-3-pyrrolidinol - CAS 1932507-13-5
Catalog: |
BB059058 |
Product Name: |
(3R,4R)-4-Methoxy-1-methyl-3-pyrrolidinol |
CAS: |
1932507-13-5 |
Synonyms: |
(3R,4R)-4-methoxy-1-methyl-pyrrolidin-3-ol; (3R,4R)-4-Methoxy-1-methylpyrrolidin-3-ol |
IUPAC Name: | (3R,4R)-4-methoxy-1-methylpyrrolidin-3-ol |
Description: | (3R,4R)-4-Methoxy-1-methyl-3-pyrrolidinol is used as a reagent in the preparation of quinazolines and pyridopyrimidines as KRAS protein inhibitors for treatment of cancer. |
Molecular Weight: | 131.17 |
Molecular Formula: | C6H13NO2 |
Canonical SMILES: | CN1CC(C(C1)OC)O |
InChI: | InChI=1S/C6H13NO2/c1-7-3-5(8)6(4-7)9-2/h5-6,8H,3-4H2,1-2H3/t5-,6-/m1/s1 |
InChI Key: | WVGMGFKCXPENCY-PHDIDXHHSA-N |
References: | Planken, S., et al. U.S. Pat. Appl. Publ. (2019), US 20190233440 A1 20190801. |
Complexity: | 97.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 131.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 131.094628657 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.7 |
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