1,1-Dimethylethyl 5-amino-1H-indole-1-carboxylate

C₁₃H₁₆N₂O₂CAS 166104-20-7232.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₆N₂O₂
Molar mass: 232.28 g/mol
Exact mass: 232.1212 Da
logP: 3.01Crippen estimate
Polar surface area: 57.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

166104-20-7

SMILES

CC(C)(C)OC(=O)n1ccc2cc(N)ccc21

InChIKey

KYCVRKPFNLCHLL-UHFFFAOYSA-N

InChI

InChI=1S/C13H16N2O2/c1-13(2,3)17-12(16)15-7-6-9-8-10(14)4-5-11(9)15/h4-8H,14H2,1-3H3

Weigh it out

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

Names and synonyms

6 names

1H-Indole-1-carboxylic acid, 5-amino-, 1,1-dimethylethyl ester
tert-Butyl 5-amino-1H-indole-1-carboxylate
1-(tert-Butoxycarbonyl)indol-5-amine
5-Aminoindole-1-carboxylic acid tert-butyl ester
1-Boc-5-aminoindole
5-Aminoindole, N1-BOC protected

Work with 1,1-Dimethylethyl 5-amino-1H-indole-1-carboxylate

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

N-Boc-5-hydroxyindole434958-85-768 % similar N-Boc-5-methoxyindole99275-47-567 % similar 1-Boc-indole75400-67-864 % similar 1,1-Dimethylethyl 5-amino-1H-indazole-1-carboxylate129488-10-462 % similar 1-Boc-6-amino-indazole219503-81-855 % similar 1-Methyl-1H-indol-5-amine102308-97-444 % similar tert-Butyl 4-aminobenzoate18144-47-342 % similar N-Boc-2-pyrroleboronic acid135884-31-042 % similar

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

Same formula

Aminoglutethimide125-84-8 1-Boc-6-aminoindole219508-62-0 3-[[2-(Acetyloxy)ethyl]phenylamino]propanenitrile22031-33-0 Melatonin73-31-4 Melatonin8041-44-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook