Methyl 3-(1-Pyrrolidylmethyl)benzoate - CAS 321198-22-5
Catalog: |
BB021180 |
Product Name: |
Methyl 3-(1-Pyrrolidylmethyl)benzoate |
CAS: |
321198-22-5 |
Synonyms: |
3-(1-pyrrolidinylmethyl)benzoic acid methyl ester; methyl 3-(pyrrolidin-1-ylmethyl)benzoate |
IUPAC Name: | methyl 3-(pyrrolidin-1-ylmethyl)benzoate |
Description: | Methyl 3-(1-Pyrrolidylmethyl)benzoate (CAS# 321198-22-5) is a useful research chemical compound. |
Molecular Weight: | 219.28 |
Molecular Formula: | C13H17NO2 |
Canonical SMILES: | COC(=O)C1=CC(=CC=C1)CN2CCCC2 |
InChI: | InChI=1S/C13H17NO2/c1-16-13(15)12-6-4-5-11(9-12)10-14-7-2-3-8-14/h4-6,9H,2-3,7-8,10H2,1H3 |
InChI Key: | CIEZKBUYAMSZBS-UHFFFAOYSA-N |
MDL: | MFCD09909459 |
LogP: | 2.00690 |
Publication Number | Title | Priority Date |
WO-2020039209-A1 | Imidazo[1,2-b]pyridazines as trk inhibitors | 20180823 |
US-10246453-B2 | Benzenesulfonamide compounds and their use as therapeutic agents | 20160520 |
US-2017334902-A1 | Benzenesulfonamide compounds and their use as therapeutic agents | 20160520 |
WO-2017201468-A1 | Benzenesulfonamide compounds and their use as therapeutic agents | 20160520 |
CA-2972797-A1 | Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors | 20141230 |
Complexity: | 236 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.125928785 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.125928785 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 29.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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