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3-[4-(Ethoxycarbonyl)-5-methyl-3-pyrrolyl]propanoic Acid

3-[4-(Ethoxycarbonyl)-5-methyl-3-pyrrolyl]propanoic Acid - CAS 38664-16-3

Catalog:	BB023724
Product Name:	3-[4-(Ethoxycarbonyl)-5-methyl-3-pyrrolyl]propanoic Acid
CAS:	38664-16-3
Synonyms:	3-(4-ethoxycarbonyl-5-methyl-1H-pyrrol-3-yl)propanoic acid; 3-(4-ethoxycarbonyl-5-methyl-1H-pyrrol-3-yl)propanoic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	3-(4-ethoxycarbonyl-5-methyl-1H-pyrrol-3-yl)propanoic acid
Description:	3-[4-(Ethoxycarbonyl)-5-methyl-3-pyrrolyl]propanoic Acid (CAS# 38664-16-3 ) is a useful research chemical.
Molecular Weight:	225.24
Molecular Formula:	C11H15NO4
Canonical SMILES:	CCOC(=O)C1=C(NC=C1CCC(=O)O)C
InChI:	InChI=1S/C11H15NO4/c1-3-16-11(15)10-7(2)12-6-8(10)4-5-9(13)14/h6,12H,3-5H2,1-2H3,(H,13,14)
InChI Key:	QKKNFEZKVKMSGW-UHFFFAOYSA-N
LogP:	1.51700

Publication Number	Title	Priority Date
DE-102016116794-A1	Process and composition for the preparation of aminolevulinic acid	20160908
WO-2018046512-A1	Method and means for producing aminolevulinic acid	20160908
EP-1653946-A2	Geometrically restricted 3-cyclopentylidene-1,3-dihydroindol-2-ones as potent protein kinase inhibitors	20030806
EP-1653946-A4	3-CYCLOPENTYLIDENE-1,3-DIHYDROINDOL-2-ONES GEOMETRICALLY LIMITED AS POWERFUL INHIBITORS OF PROTEIN KINASES	20030806
JP-2007501229-A	Geometrically constrained 3-cyclopentylidene-1,3-dihydroindol-2-ones as potent protein kinase inhibitors	20030806

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[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
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

Complexity:	267
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.10010796
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	225.10010796
Rotatable Bond Count:	6
Topological Polar Surface Area:	79.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1