Ethyl 3-(3-Indolyl)-2-methylpropanoate - CAS 57901-11-8

Catalog:	BB029860
Product Name:	Ethyl 3-(3-Indolyl)-2-methylpropanoate
CAS:	57901-11-8
Synonyms:	3-(1H-indol-3-yl)-2-methylpropanoic acid ethyl ester; ethyl 3-(1H-indol-3-yl)-2-methylpropanoate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 3-(1H-indol-3-yl)-2-methylpropanoate
Description:	Ethyl 3-(3-Indolyl)-2-methylpropanoate (CAS# 57901-11-8 ) is a useful research chemical.
Molecular Weight:	231.29
Molecular Formula:	C14H17NO2
Canonical SMILES:	CCOC(=O)C(C)CC1=CNC2=CC=CC=C21
InChI:	InChI=1S/C14H17NO2/c1-3-17-14(16)10(2)8-11-9-15-13-7-5-4-6-12(11)13/h4-7,9-10,15H,3,8H2,1-2H3
InChI Key:	VNYVSHODDXWJGI-UHFFFAOYSA-N
LogP:	2.90960

Publication Number	Title	Priority Date
EP-2865669-A1	Novel rebamipide prodrug, method for producing same, and usage thereof	20120626
US-2015141409-A1	Novel revamipide prodrugs, preparation method and use thereof	20120626
EP-2865669-B1	Novel rebamipide prodrug, method for producing same, and usage thereof	20120626
US-2013296281-A1	Aryl Substituted Indoles and Their Use as Blockers of Sodium Channels	20100616
US-2016326111-A1	Aryl substituted indoles and the use thereof	20100616

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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
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

Complexity:	267
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.125928785
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	231.125928785
Rotatable Bond Count:	5
Topological Polar Surface Area:	42.1
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3