3-(1-methyl-1H-imidazol-2-yl)propanoic acid - CAS 869938-98-7

Catalog:	BB038158
Product Name:	3-(1-methyl-1H-imidazol-2-yl)propanoic acid
CAS:	869938-98-7
Synonyms:	3-(1-methyl-2-imidazolyl)propanoic acid; 3-(1-methylimidazol-2-yl)propanoic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	3-(1-methylimidazol-2-yl)propanoic acid
Description:	3-(1-methyl-1H-imidazol-2-yl)propanoic acid (CAS# 869938-98-7) is a useful research chemical.
Molecular Weight:	154.169
Molecular Formula:	C7H10N2O2
Canonical SMILES:	CN1C=CN=C1CCC(=O)O
InChI:	InChI=1S/C7H10N2O2/c1-9-5-4-8-6(9)2-3-7(10)11/h4-5H,2-3H2,1H3,(H,10,11)
InChI Key:	CGLYLGHRBZZCJA-UHFFFAOYSA-N
LogP:	0.43730

Publication Number	Title	Priority Date
TW-202037372-A	Cyclic amine derivatives and novel cyclic amine derivatives as nerve cell skeleton protein function promoters and their medical uses	20181226
TW-202010740-A	MCL-1 inhibitors	20180514
US-10703733-B2	MCL-1 inhibitors	20180514
US-2019352271-A1	Mcl-1 inhibitors	20180514
WO-2019222112-A1	Mcl-1 inhibitors	20180514

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Related Functional Groups

Imidazoles

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3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[54004-47-6]
1-Tetradecylimidazole
[74840-99-6]
ethyl 4,5-dibromo-1H-imidazole-2-carboxylate
[64038-58-0]
1-Cyclohexyl-1,3-dihydro-2H-imidazole-2-thione
[1855890-25-3]
Ethyl 1-isopropyl-4-methyl-1H-imidazole-2-carboxylate
[74478-96-9]
Ethyl 2,4-dibromo-1H-imidazole-5-carboxylate

Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.074227566
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	154.074227566
Rotatable Bond Count:	3
Topological Polar Surface Area:	55.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2