5-(3-Aminophenyl)furan-2-carboxylic acid methyl ester

C12H11NO3CAS 54023-06-2217.22 g/mol

Open in Covalent MOL file
OOONH2
EsterPrimary amine

Properties

Molecular formula
C12H11NO3
Molar mass
217.22 g/mol
Exact mass
217.0739 Da
logP
2.32Crippen estimate
Polar surface area
65.5 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
54023-06-2
SMILES
COC(=O)C1=CC=C(O1)C2=CC(=CC=C2)N
InChIKey
IZIZPLREWPTKFV-UHFFFAOYSA-N
InChI
InChI=1S/C12H11NO3/c1-15-12(14)11-6-5-10(16-11)8-3-2-4-9(13)7-8/h2-7H,13H2,1H3

Weigh it out

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

Names and synonyms

1 names
  • Methyl 5-(3-aminophenyl)furan-2-carboxylate

Work with 5-(3-Aminophenyl)furan-2-carboxylic acid methyl 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

Methyl 3-aminobenzoate4518-10-956 % similar 2,5-Dimethyl 2,5-furandicarboxylate4282-32-054 % similar Methyl 5-amino-2-furoate22600-30-254 % similar Methyl 5-methyl-2-furancarboxylate2527-96-048 % similar Methyl 4-aminopyridine-2-carboxylate71469-93-747 % similar Methyl 5-bromo-2-furoate2527-99-347 % similar Methyl 5-amino-1-benzothiophene-2-carboxylate20699-85-846 % similar Methyl-5-amino-2-chlorobenzoate42122-75-846 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Phenyl-5-methyloxazole-4-acetic acid107367-98-6 Methyl N-(7-hydroxy-1-naphthalenyl)carbamate132-63-8 Oxazolone15646-46-5 4-Hydroxyquinoline-3-carboxylic acid ethyl ester26892-90-0 Ethyl 3-cyano-3-phenylpyruvate6362-63-6 Ethyl 5-phenylisoxazole-3-carboxylate7063-99-2 Indole-3-(4'-oxo)butyric acid835-45-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook