chempirical

Ethyl 2-aminothiophene-3-carboxylate

C7H9NO2SCAS 31891-06-2171.21 g/mol

Open in Covalent MOL file
OOSH2N
EsterPrimary amine

Properties

Molecular formula
C7H9NO2S
Molar mass
171.21 g/mol
Exact mass
171.0354 Da
logP
1.51Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Identifiers

CAS number
31891-06-2
SMILES
CCOC(=O)C1=C(SC=C1)N
InChIKey
MKJQYFVTEPGXIE-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO2S/c1-2-10-7(9)5-3-4-11-6(5)8/h3-4H,2,8H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Ethyl 2-aminothiophene-3-carboxylate

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

Methyl 2-amino-3-thiophenecarboxylate4651-81-466 % similar Ethyl 2-amino-5-methylthiophene-3-carboxylate4815-32-157 % similar Diethyl phthalate84-66-256 % similar Ethyl 2-aminobenzoate87-25-255 % similar Ethyl 2-amino-5-phenylthiophene-3-carboxylate4815-34-355 % similar Ethyl 2-amino-1H-pyrrole-3-carboxylate108290-86-453 % similar Ethyl 2-amino-4-methylthiophene-3-carboxylate43088-42-251 % similar Ethyl 2-aminopyridine-3-carboxylate13362-26-050 % similar

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

Same formula

N-Phenylmethanesulfonamide1197-22-4 (R)-2-Amino-3-(thiophen-3-yl)propanoic acid152612-26-5 2-Thienylalanine2021-58-1 Ethyl 4-methylthiazole-5-carboxylate20582-55-2 L-2-Thienylalanine22951-96-8 4-(1-Methylethyl)-2-thiazolecarboxylic acid300831-06-5 3-(Methylsulphonyl)aniline35216-39-8 (αS)-α-Amino-3-thiophenepropanoic acid3685-51-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook