chempirical

N-Acetyl-L-tryptophanamide

C13H15N3O2CAS 2382-79-8245.28 g/mol

Open in Covalent MOL file
ONHNHH2NO

Properties

Molecular formula
C13H15N3O2
Molar mass
245.28 g/mol
Exact mass
245.1164 Da
Melting point
193–194 °C
logP
2.59Crippen estimate
Polar surface area
92.5 Ų
H-bond donors / acceptors
4 / 2
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
2382-79-8
SMILES
CC(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(=N)O
InChIKey
HNGIZKAMDMBRKJ-LBPRGKRZSA-N
InChI
InChI=1S/C13H15N3O2/c1-8(17)16-12(13(14)18)6-9-7-15-11-5-3-2-4-10(9)11/h2-5,7,12,15H,6H2,1H3,(H2,14,18)(H,16,17)/t12-/m0/s1

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

Names and synonyms

10 names
  • 1H-Indole-3-propanamide, α-(acetylamino)-, (αS)-
  • Indole-3-propionamide, α-acetamido-, L-
  • 1H-Indole-3-propanamide, α-(acetylamino)-, (S)-
  • (αS)-α-(Acetylamino)-1H-indole-3-propanamide
  • Acetyltryptophanamide
  • (+)-2-Acetamido-3-(indol-3-yl)propionamide
  • N-L-Acetyltryptophanamide
  • NAWA
  • (αS)-N-Acetyl-tryptophan amide
  • (2S)-2-Acetamido-3-(1H-indol-3-yl)propanamide

Work with N-Acetyl-L-tryptophanamide

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

Acetyl-L-tryptophan1218-34-471 % similar N-Acetyl-D-tryptophan2280-01-571 % similar N-Acetyl-dl-tryptophan87-32-171 % similar N-Acetyl-L-tryptophan ethyl ester2382-80-164 % similar L-Tryptophanamide hydrochloride5022-65-156 % similar N-Acetyl-L-tyrosinamide1948-71-651 % similar L-Alanyl-L-tryptophan16305-75-248 % similar Glycyl-L-tryptophan2390-74-148 % similar

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

Same formula

4-Acetylaminoantipyrine83-15-8 N-(2-Methylpropyl)-3-nitro-4-quinolinamine99009-85-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook