chempirical

N-Acetyl-L-tryptophan ethyl ester

C15H18N2O3CAS 2382-80-1274.32 g/mol

Open in Covalent MOL file
OONHNHO
Ester

Properties

Molecular formula
C15H18N2O3
Molar mass
274.32 g/mol
Exact mass
274.1317 Da
Melting point
106 °C
logP
2.62Crippen estimate
Polar surface area
74.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
2382-80-1
SMILES
CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)N=C(C)O
InChIKey
KQGQONPKSKUHHT-AWEZNQCLSA-N
InChI
InChI=1S/C15H18N2O3/c1-3-20-15(19)14(17-10(2)18)8-11-9-16-13-7-5-4-6-12(11)13/h4-7,9,14,16H,3,8H2,1-2H3,(H,17,18)/t14-/m0/s1

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Names and synonyms

7 names
  • L-Tryptophan, N-acetyl-, ethyl ester
  • Tryptophan, N-acetyl-, ethyl ester, L-
  • Acetyl-L-tryptophan ethyl ester
  • N-Acetyltryptophan ethyl ester
  • Nα-Acetyl-L-tryptophan ethyl ester
  • N-Acetyltryptophan O-ethyl ester
  • Ac-trp-OEt

Work with N-Acetyl-L-tryptophan ethyl ester

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-tryptophan1218-34-470 % similar N-Acetyl-D-tryptophan2280-01-570 % similar N-Acetyl-dl-tryptophan87-32-170 % similar N-Acetyl-L-tryptophanamide2382-79-864 % similar N-[(Phenylmethoxy)carbonyl]-L-tryptophan phenylmethyl ester69876-37-560 % similar (S)-Tryptophan ethyl ester hydrochloride2899-28-759 % similar N-Acetyl-L-tyrosine ethyl ester840-97-156 % similar Ethyl 1H-indole-3-acetate778-82-551 % similar

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

Elsewhere

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