5-Fluoro-dl-tryptophan

C₁₁H₁₁FN₂O₂CAS 154-08-5222.22 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₁₁H₁₁FN₂O₂
Molar mass: 222.22 g/mol
Exact mass: 222.0805 Da
Melting point: 264–265 °C (decomposes)
logP: 1.26Crippen estimate
Polar surface area: 79.1 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 3

Identifiers

CAS number

154-08-5

SMILES

NC(Cc1c[nH]c2ccc(F)cc12)C(=O)O

InChIKey

INPQIVHQSQUEAJ-UHFFFAOYSA-N

InChI

InChI=1S/C11H11FN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)

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

Names and synonyms

7 names

Tryptophan, 5-fluoro-
Tryptophan, 5-fluoro-, DL-
DL-Tryptophan, 5-fluoro-
5-Fluorotryptophan
DL-5-Fluorotryptophan
NSC 9363
2-Amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid

Work with 5-Fluoro-dl-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

(±)-5-Hydroxytryptophan114-03-474 % similar 5-Hydroxytryptophan4350-09-874 % similar (±)-5-Hydroxytryptophan56-69-974 % similar (±)-5-Hydroxytryptophan72572-98-674 % similar 5-Bromo-dl-tryptophan6548-09-071 % similar 5-Methyl-dl-tryptophan951-55-371 % similar 5-Methoxy-dl-tryptophan28052-84-868 % similar D-Tryptophan153-94-667 % similar

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

Same formula

6-Fluorotryptophan7730-20-3

Elsewhere

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