Methyl 2-amino-3-methoxybenzoate

C₉H₁₁NO₃CAS 5121-34-6181.19 g/mol

Open in Covalent MOL file

Ester Ether Primary amine

Properties

Molecular formula: C₉H₁₁NO₃
Molar mass: 181.19 g/mol
Exact mass: 181.0739 Da
logP: 1.06Crippen estimate
Polar surface area: 61.5 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

5121-34-6

SMILES

COC1=CC=CC(=C1N)C(=O)OC

InChIKey

YJEZEMGLLFLMDF-UHFFFAOYSA-N

InChI

InChI=1S/C9H11NO3/c1-12-7-5-3-4-6(8(7)10)9(11)13-2/h3-5H,10H2,1-2H3

Weigh it out

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

Work with Methyl 2-amino-3-methoxybenzoate

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 ester107582-20-771 % similar Methyl 2-methoxybenzoate606-45-170 % similar 2-Amino-3-methoxybenzoic acid3177-80-865 % similar Methyl 2-hydroxy-3-methoxybenzoate6342-70-765 % similar 2-Carbomethoxy-6-methylaniline22223-49-064 % similar Methyl 2-amino-3-chlorobenzoate77820-58-764 % similar Methyl 2,6-dimethoxybenzoate2065-27-262 % similar Dimethyl 3-aminobenzene-1,2-dicarboxylate34529-06-161 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2R,3S)-3-Phenylisoserine136561-53-0 2,3-Dimethoxybenzamide1521-39-7 3,4-Dimethoxybenzamide1521-41-1 3,5-Dimethoxybenzamide17213-58-0 2-Amino-2-(4-methoxyphenyl)acetic acid19789-59-4 (±)-O-Tyrosine2370-61-8 3-Acetyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid2386-33-6 Methyl 2-amino-5-methoxybenzoate2475-80-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook