chempirical

Methyl 2-amino-3,4,5-trimethoxybenzoate

C11H15NO5CAS 5035-82-5241.24 g/mol

Open in Covalent MOL file
OOOOOH2N
EsterEtherPrimary amine

Properties

Molecular formula
C11H15NO5
Molar mass
241.24 g/mol
Exact mass
241.0950 Da
logP
1.08Crippen estimate
Polar surface area
80.0 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
4

Identifiers

CAS number
5035-82-5
SMILES
COC(=O)c1cc(OC)c(OC)c(OC)c1N
InChIKey
UPVUQELOASQBMY-UHFFFAOYSA-N
InChI
InChI=1S/C11H15NO5/c1-14-7-5-6(11(13)17-4)8(12)10(16-3)9(7)15-2/h5H,12H2,1-4H3

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Names and synonyms

6 names
  • Benzoic acid, 2-amino-3,4,5-trimethoxy-, methyl ester
  • Anthranilic acid, 3,4,5-trimethoxy-, methyl ester
  • Methyl 3,4,5-trimethoxyanthranilate
  • NSC 80816
  • Ethyl 2-amino-3,4,5-trimethoxybenzoate
  • PPC 17D

Work with Methyl 2-amino-3,4,5-trimethoxybenzoate

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-Amino-3,4,5-trimethoxybenzoic acid61948-85-464 % similar Methyl 6-amino-3,4-dimethoxybenzoate26759-46-664 % similar Methyl 3,4,5-trimethoxybenzoate1916-07-057 % similar Bifendate73536-69-355 % similar Methyl 4-amino-2-methoxybenzoate27492-84-854 % similar 2,3-Diaminobenzoic acid methyl ester107582-20-750 % similar Methyl 2-amino-3,5-dibromobenzoate606-00-849 % similar Methyl 2,4-dimethoxybenzoate2150-41-649 % similar

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

Same formula

Methocarbamol532-03-6

Elsewhere

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