5-Bromo-DL-tryptophan

C11H11BrN2O2CAS 6548-09-0283.13 g/mol

Open in Covalent MOL file
H2NNHBrOOH
Aryl halideCarboxylic acidPrimary amine

Properties

Molecular formula
C11H11BrN2O2
Molar mass
283.13 g/mol
Exact mass
282.0004 Da
Melting point
261–262 °C
logP
1.88Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
6548-09-0
SMILES
NC(Cc1c[nH]c2ccc(Br)cc12)C(=O)O
InChIKey
KZDNJQUJBMDHJW-UHFFFAOYSA-N
InChI
InChI=1S/C11H11BrN2O2/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

8 names
  • Tryptophan, 5-bromo-
  • Tryptophan, 5-bromo-, DL-
  • DL-Tryptophan, 5-bromo-
  • 5-Bromotryptophan
  • DL-5-Bromotryptophan
  • NSC 88149
  • 2-Amino-3-(5-bromo-1H-indol-3-yl)propionic acid
  • 2-Amino-3-(5-bromo-1H-indol-3-yl)propanoic acid

Work with 5-Bromo-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-Hydroxytryptophan114-03-478 % similar 5-Hydroxytryptophan4350-09-878 % similar (+-)-5-Hydroxytryptophan56-69-978 % similar (+-)-5-Hydroxytryptophan72572-98-678 % similar 5-Fluoro-DL-tryptophan154-08-571 % 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook