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

Technical Data

Patents

Computed Properties

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

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[17746-05-3]
Undecanoyl chloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

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