Methyl 3-aminofuran-2-carboxylate

C₆H₇NO₃CAS 956034-04-1141.13 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₆H₇NO₃
Molar mass: 141.13 g/mol
Exact mass: 141.0426 Da
logP: 0.65Crippen estimate
Polar surface area: 65.5 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

956034-04-1

SMILES

COC(=O)c1occc1N

InChIKey

UTLPWTWCOSOPMX-UHFFFAOYSA-N

InChI

InChI=1S/C6H7NO3/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,7H2,1H3

Weigh it out

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

Names and synonyms

1 names

2-Furancarboxylic acid, 3-amino-, methyl ester

Work with Methyl 3-aminofuran-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

Methyl 3-methyl-2-furancarboxylate6141-57-762 % similar Methyl anthranilate134-20-350 % similar Methyl 3-aminothiophene-2-carboxylate22288-78-449 % similar Methyl 3,4-diaminobenzoate36692-49-649 % similar Methyl 2-methylfuran-3-carboxylate6141-58-849 % similar 2,3-Diaminobenzoic acid methyl ester107582-20-747 % similar Dimethyl 3-aminobenzene-1,2-dicarboxylate34529-06-147 % similar Dimethyl 3-aminoterephthalate5372-81-647 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl oxazole-5-carboxylate118994-89-1 2-Isocyanatoethyl acrylate13641-96-8 N-(2-Hydroxyethyl)maleimide1585-90-6 3-Methyl-5-isoxazoleacetic acid 9819668-85-0 Methyl 5-methyl-3-isoxazolecarboxylate19788-35-3 Methyl 5-amino-2-furoate22600-30-2 Ethyl oxazole-4-carboxylate23012-14-8 3,5-Dimethyl-4-isoxazolecarboxylic acid2510-36-3

Elsewhere

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