chempirical

2-Amino-3-methyl-3H-imidazole-4-carboxylic acid ethyl ester

C7H11N3O2CAS 177760-04-2169.18 g/mol

Open in Covalent MOL file
OONNNH2
EsterPrimary amine

Properties

Molecular formula
C7H11N3O2
Molar mass
169.18 g/mol
Exact mass
169.0851 Da
logP
0.18Crippen estimate
Polar surface area
70.1 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Identifiers

CAS number
177760-04-2
SMILES
CCOC(=O)C1=CN=C(N1C)N
InChIKey
CXSLXRSUUJLZBT-UHFFFAOYSA-N
InChI
InChI=1S/C7H11N3O2/c1-3-12-6(11)5-4-9-7(8)10(5)2/h4H,3H2,1-2H3,(H2,8,9)

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Work with 2-Amino-3-methyl-3H-imidazole-4-carboxylic acid ethyl ester

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Aminopyrazine-2-carboxylic acid ethyl ester54013-06-849 % similar Ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate1150566-27-048 % similar Ethyl 2-amino-1,3-oxazole-5-carboxylate113853-16-048 % similar Ethyl 2-aminothiazole-5-carboxylate32955-21-848 % similar Ethyl 1-methylimidazole-2-carboxylate30148-21-145 % similar 2-Chloro-5-(ethoxycarbonyl)pyrimidine89793-12-445 % similar Ethyl 4-amino-1H-imidazole-5-carboxylate21190-16-944 % similar 5,5′-Diethyl [2,2′-bipyridine]-5,5′-dicarboxylate1762-46-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-(Dimethoxymethyl)pyrimidin-2-amine165807-05-6 Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate31037-02-2 1-Methyl-L-histidine332-80-9 3-Methylhistidine368-16-1 1,1-Dimethylethyl 1H-1,2,4-triazole-1-carboxylate41864-24-8

Elsewhere

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