chempirical

1-Methyl-1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid

C13H14N2O2CAS 5470-37-1230.27 g/mol

Open in Covalent MOL file
HNOHONH
Carboxylic acidSecondary amine

Properties

Molecular formula
C13H14N2O2
Molar mass
230.27 g/mol
Exact mass
230.1055 Da
Melting point
242–243 °C (decomposes)
logP
1.83Crippen estimate
Polar surface area
65.1 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
1

Identifiers

CAS number
5470-37-1
SMILES
CC1NC(C(=O)O)Cc2c1[nH]c1ccccc21
InChIKey
ZUPHXNBLQCSEIA-UHFFFAOYSA-N
InChI
InChI=1S/C13H14N2O2/c1-7-12-9(6-11(14-7)13(16)17)8-4-2-3-5-10(8)15-12/h2-5,7,11,14-15H,6H2,1H3,(H,16,17)

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

Names and synonyms

10 names
  • 1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-methyl-
  • 2,3,4,9-Tetrahydro-1-methyl-1H-pyrido[3,4-b]indole-3-carboxylic acid
  • Tetrahydroharman-3-carboxylic acid
  • NSC 26225
  • 1,2,3,4-Tetrahydro-3-carboxyharmane
  • 1-Methyl-1,2,3,4-Tetrahydropyrido[3,4-b]indole-3-carboxylic acid
  • 1,2,3,4-Tetrahydroharman-3-carboxylic acid
  • 1-Methyl-2,3,4,9-tetrahydro-1H-β-carboline-3-carboxylic acid
  • 1-Methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
  • 1-Methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid

Work with 1-Methyl-1,2,3,4-tetrahydro-β-carboline-3-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

Lycoperodine-142438-90-458 % similar 1,2,3,4-Tetrahydro-β-carboline-3-carboxylic acid6052-68-258 % similar N-Methyl-L-tryptophan526-31-845 % similar Methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-B]indole-3-carboxylate171596-41-142 % similar Boc-D-1,2,3,4-tetrahydronorharman-3-carboxylic acid123910-26-940 % similar 2-Methyl-1H-indole-3-acetic acid1912-43-240 % similar Indole-3-lactic acid1821-52-938 % similar D-Tryptophan153-94-638 % similar

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

Same formula

1-Phenyl-5-propyl-1H-pyrazole-4-carboxylic acid116344-17-3 5-Cyclobutyl-5-phenylhydantoin125650-44-4

Elsewhere

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