Methyl 4-amino-6-indolecarboxylate

C₁₀H₁₀N₂O₂CAS 121561-15-7190.20 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₁₀H₁₀N₂O₂
Molar mass: 190.20 g/mol
Exact mass: 190.0742 Da
logP: 1.54Crippen estimate
Polar surface area: 68.1 Å²
H-bond donors / acceptors: 2 / 3
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 the 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

121561-15-7

SMILES

COC(=O)C1=CC(=C2C=CNC2=C1)N

InChIKey

DJZJHJRWIVNSIT-UHFFFAOYSA-N

InChI

InChI=1S/C10H10N2O2/c1-14-10(13)6-4-8(11)7-2-3-12-9(7)5-6/h2-5,12H,11H2,1H3

Weigh it out

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

Names and synonyms

1 names

Methyl 4-amino-1H-indole-6-carboxylate

Work with Methyl 4-amino-6-indolecarboxylate

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 4-bromo-1H-indole-6-carboxylate882679-96-167 % similar Methyl indole-6-carboxylate50820-65-057 % similar Methyl 3,4-diaminobenzoate36692-49-655 % similar Dimethyl 3-aminoterephthalate5372-81-654 % similar Methyl indole-5-carboxylate1011-65-053 % similar Methyl 6-bromoindole-4-carboxylate107650-22-652 % similar 6-Fluoro-1H-indole-4-carboxylic acid methyl ester1082040-43-452 % similar Methyl 3-amino-4-methylbenzoate18595-18-151 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Benzoimidazol-1-yl-propionic acid14840-18-7 Ethyl pyrazolo(1,5-a)pyridine-3-carboxylate16205-44-0 L-4-Cyanophenylalanine167479-78-9 Ethyl 1H-pyrrolo(3,2-b)pyridine-2-carboxylate17288-32-3 1H-Benzoimidazole-2-carboxylic acid ethyl ester1865-09-4 2,3-Dimethyl-5-nitro-1H-indole21296-94-6 1H-Benzimidazole-2-propanoic acid23249-97-0 Ethyl 1H-pyrrolo[2,3-c]pyridine-2-carboxylate24334-19-8

Elsewhere

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