Ethyl 5-aminobenzofuran-2-carboxylate

C₁₁H₁₁NO₃CAS 174775-48-5205.21 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₁₁H₁₁NO₃
Molar mass: 205.21 g/mol
Exact mass: 205.0739 Da
Melting point: 59–60 °C
logP: 2.19Crippen estimate
Polar surface area: 65.5 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Identifiers

CAS number

174775-48-5

SMILES

CCOC(=O)c1cc2cc(N)ccc2o1

InChIKey

YFFLLDHEEWSHQG-UHFFFAOYSA-N

InChI

InChI=1S/C11H11NO3/c1-2-14-11(13)10-6-7-5-8(12)3-4-9(7)15-10/h3-6H,2,12H2,1H3

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Names and synonyms

3 names

2-Benzofurancarboxylic acid, 5-amino-, ethyl ester
5-Aminobenzofuran-2-carboxylic acid ethyl ester
Ethyl 5-amino-1-benzofuran-2-carboxylate

Work with Ethyl 5-aminobenzofuran-2-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

Ethyl 5-nitrobenzofuran-2-carboxylate69604-00-861 % similar Benzocaine94-09-752 % similar Ethyl 3-aminobenzoate582-33-251 % similar Benzocaine hydrochloride23239-88-549 % similar Ethyl 2-amino-1,3-oxazole-5-carboxylate113853-16-047 % similar Ethyl 2-furoate614-99-344 % similar Ethyl 2-aminobenzoate87-25-243 % similar Diethyl phthalate84-66-243 % similar

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

Same formula

(S)-1-Benzyl-3-hydroxypyrrolidine-2,5-dione101469-91-4 Methyl 4-methoxy-1H-indole-2-carboxylate111258-23-2 Rel-(3R,4S)-3-(acetyloxy)-4-phenyl-2-azetidinone133066-59-8 6,7-Dimethoxy-4-hydroxyquinoline13425-93-9 (2Z)-4-Oxo-4-[(phenylmethyl)amino]-2-butenoic acid15329-69-8 Indole-3-lactic acid1821-52-9 Ethyl 5-hydroxy-1H-indole-2-carboxylate24985-85-1 3-Cyano-4-(1-methylethoxy)benzoic acid258273-31-3

Elsewhere

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