chempirical

Dimethyl 3-aminobenzene-1,2-dicarboxylate

C10H11NO4CAS 34529-06-1209.20 g/mol

Open in Covalent MOL file
OONH2OO
EsterPrimary amine

Properties

Molecular formula
C10H11NO4
Molar mass
209.20 g/mol
Exact mass
209.0688 Da
logP
0.84Crippen estimate
Polar surface area
78.6 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Identifiers

CAS number
34529-06-1
SMILES
COC(=O)C1=C(C(=CC=C1)N)C(=O)OC
InChIKey
VEJKSNHPNFHCLF-UHFFFAOYSA-N
InChI
InChI=1S/C10H11NO4/c1-14-9(12)6-4-3-5-7(11)8(6)10(13)15-2/h3-5H,11H2,1-2H3

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Names and synonyms

1 names
  • 3-Amino-1,2-phthalic acid, dimethyl ester

Work with Dimethyl 3-aminobenzene-1,2-dicarboxylate

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

2,3-Diaminobenzoic acid methyl ester107582-20-775 % similar Methyl anthranilate134-20-374 % similar Methyl 3-amino-2-methylbenzoate18583-89-673 % similar Methyl 3-amino-2-fluorobenzoate1195768-18-371 % similar Methyl 2-amino-3-methoxybenzoate5121-34-661 % similar Dimethyl phthalate131-11-360 % similar 2-Carbomethoxy-6-methylaniline22223-49-058 % similar Methyl 2-amino-3-chlorobenzoate77820-58-758 % similar

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

Same formula

2,3-Dimethyl 5-methyl-2,3-pyridinedicarboxylate112110-16-4 N-Phenyliminodiacetic acid1137-73-1 Benzyloxycarbonylglycine1138-80-3 Alpha-Methyl-4-carboxyphenylglycine146669-29-6 2-(4-Formyl-2-methoxyphenoxy)acetamide186685-89-2 2,4-Dimethoxy-omega-nitrostyrene1891-10-7 2,5-Dimethoxy-beta-nitrostyrene40276-11-7 Methyl 4-acetamido-2-hydroxybenzoate4093-28-1

Elsewhere

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