chempirical

(+)-Hypaphorine

C14H18N2O2CAS 487-58-1246.31 g/mol

Open in Covalent MOL file
N+NHOO−
Carboxylic acidQuaternary ammonium

Properties

Molecular formula
C14H18N2O2
Molar mass
246.31 g/mol
Exact mass
246.1368 Da
Melting point
255 °C (decomposes)
logP
0.54Crippen estimate
Polar surface area
55.9 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
487-58-1
SMILES
C[N+](C)(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]
InChIKey
AOHCBEAZXHZMOR-ZDUSSCGKSA-N
InChI
InChI=1S/C14H18N2O2/c1-16(2,3)13(14(17)18)8-10-9-15-12-7-5-4-6-11(10)12/h4-7,9,13,15H,8H2,1-3H3/t13-/m0/s1

Weigh it out

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

Names and synonyms

11 names
  • 1H-Indole-3-ethanaminium, α-carboxy-N,N,N-trimethyl-, inner salt, (αS)-
  • Lenticin
  • Lenticine
  • Tryptophan betaine
  • L-Hypaphorine
  • Glyyunnanenine
  • Hypaphorine
  • Ammonium, (1-carboxy-2-indol-3-ylethyl)trimethyl-, hydroxide, inner salt
  • 1H-Indole-3-ethanaminium, α-carboxy-N,N,N-trimethyl-, inner salt, (S)-
  • (1-Carboxy-2-indol-3-ylethyl)trimethylammonium hydroxide, inner salt
  • Tryptophan, trimethylbetaine

Work with (+)-Hypaphorine

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-3-lactic acid1821-52-948 % similar N-Methyl-L-tryptophan526-31-847 % similar D-Tryptophan153-94-647 % similar (±)-Tryptophan54-12-647 % similar Tryptophan73-22-347 % similar 3-Indolylacetic acid potassium salt2338-19-447 % similar Indole-3-acetone1201-26-947 % similar (±)-α-Methyltryptamine299-26-347 % similar

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

Same formula

1-(4-Benzoyl-1-piperazinyl)-1-propanone314728-85-3 Nefiracetam77191-36-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook