Methyl 5-amino-2-furoate

C₆H₇NO₃CAS 22600-30-2141.13 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

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

22600-30-2

SMILES

COC(=O)C1=CC=C(O1)N

InChIKey

KLKQGSISBRVCTK-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

Methyl 5-aminofuran-2-carboxylate

Work with Methyl 5-amino-2-furoate

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

2,5-Dimethyl 2,5-furandicarboxylate4282-32-071 % similar Methyl 5-methyl-2-furancarboxylate2527-96-061 % similar Methyl 5-bromo-2-furoate2527-99-359 % similar Methyl 5-chloromethyl-2-furoate2144-37-854 % similar 5-(3-Aminophenyl)furan-2-carboxylic acid methyl ester54023-06-254 % similar Methyl 5-nitro-2-furoate1874-23-351 % similar Methyl 2-furoate611-13-249 % similar Methyl anthranilate134-20-347 % 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 Ethyl oxazole-4-carboxylate23012-14-8 3,5-Dimethyl-4-isoxazolecarboxylic acid2510-36-3 2,4-Dimethyl-1,3-oxazole-5-carboxylic acid2510-37-4

Elsewhere

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