6-Chloro-L-tryptophan

C₁₁H₁₁ClN₂O₂CAS 33468-35-8238.67 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₁₁H₁₁ClN₂O₂
Molar mass: 238.67 g/mol
Exact mass: 238.0509 Da
Melting point: 248–253 °C
logP: 1.78Crippen estimate
Polar surface area: 79.1 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

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

33468-35-8

SMILES

N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)O

InChIKey

FICLVQOYKYBXFN-VIFPVBQESA-N

InChI

InChI=1S/C11H11ClN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1

Weigh it out

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

Names and synonyms

6 names

L-Tryptophan, 6-chloro-
Tryptophan, 6-chloro-, L-
6-Chlorotryptophan
L-6-Chlorotryptophan
(S)-2-Amino-3-(6-chloro-1H-indol-3-yl)propanoic acid
(2S)-2-Amino-3-(6-chloro-1H-indol-3-yl)propanoic acid

Work with 6-Chloro-L-tryptophan

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

6-Methyl-DL-tryptophan2280-85-571 % similar 6-Fluorotryptophan7730-20-371 % similar D-Tryptophan153-94-667 % similar (±)-Tryptophan54-12-667 % similar Tryptophan73-22-367 % similar (+-)-5-Hydroxytryptophan114-03-463 % similar 5-Hydroxytryptophan4350-09-863 % similar (+-)-5-Hydroxytryptophan56-69-963 % similar

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

Same formula

Ethychlozate27512-72-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook