chempirical

5-Amino-1H-indole-2-carboxylic acid

C9H8N2O2CAS 152213-40-6176.17 g/mol

Open in Covalent MOL file
H2NNHOOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C9H8N2O2
Molar mass
176.17 g/mol
Exact mass
176.0586 Da
logP
1.45Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
1

Identifiers

CAS number
152213-40-6
SMILES
C1=CC2=C(C=C1N)C=C(N2)C(=O)O
InChIKey
NKFIBMOQAPEKNZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2O2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,10H2,(H,12,13)

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Names and synonyms

1 names
  • 5-Amino-2-indolecarboxylic acid

Work with 5-Amino-1H-indole-2-carboxylic acid

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

Indole-2,5-dicarboxylic acid117140-77-967 % similar 5-Hydroxyindole-2-carboxylic acid21598-06-165 % similar 5-Fluoroindole-2-carboxylic acid399-76-863 % similar Indole-2-carboxylic acid1477-50-561 % similar 5-Methoxy-1H-indole-2-carboxylic acid4382-54-159 % similar 5-(Phenylmethoxy)-1H-indole-2-carboxylic acid6640-09-154 % similar 6-Amino-2-naphthoic acid116668-47-453 % similar 6-Bromo-1H-indole-2-carboxylic acid16732-65-351 % similar

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

Same formula

5-Methyl-1H-indazole-3-carboxylic acid1201-24-7 Methyl 7-azaindole-6-carboxylate1256825-86-1 Methyl imidazo[1,2-A]pyridine-6-carboxylate136117-69-6 Methyl 1H-indazole-6-carboxylate170487-40-8 Imidazo[1,2-A]pyridine-3-acetic acid17745-04-9 Pemoline2152-34-3 N-(4-Cyanophenyl)glycine42288-26-6 2-Methyl-5-nitroindole7570-47-0

Elsewhere

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