chempirical

5-Methoxy-dl-tryptophan

C12H14N2O3CAS 28052-84-8234.25 g/mol

Open in Covalent MOL file
ONHNH2OOH
Carboxylic acidEtherPrimary amine

Properties

Molecular formula
C12H14N2O3
Molar mass
234.25 g/mol
Exact mass
234.1004 Da
Melting point
238–240 °C (decomposes)
logP
1.13Crippen estimate
Polar surface area
88.3 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
4

Identifiers

CAS number
28052-84-8
SMILES
COc1ccc2[nH]cc(CC(N)C(=O)O)c2c1
InChIKey
KVNPSKDDJARYKK-UHFFFAOYSA-N
InChI
InChI=1S/C12H14N2O3/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16)

Weigh it out

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

Names and synonyms

8 names
  • Tryptophan, 5-methoxy-
  • Tryptophan, 5-methoxy-, DL-
  • DL-Tryptophan, 5-methoxy-
  • 5-Methoxytryptophan
  • Dl-5-Methoxytryptophan
  • 2-Amino-3-(5-methoxy-1H-indol-3-yl)propanoicacid
  • 2-Azaniumyl-3-(5-methoxy-1H-indol-3-yl)propanoate
  • 2-Amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid

Work with 5-Methoxy-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-Methyl-dl-tryptophan951-55-371 % similar (±)-5-Hydroxytryptophan114-03-471 % similar 5-Hydroxytryptophan4350-09-871 % similar (±)-5-Hydroxytryptophan56-69-971 % similar (±)-5-Hydroxytryptophan72572-98-671 % similar 5-(Phenylmethoxy)tryptophan6383-70-669 % similar 5-Fluoro-dl-tryptophan154-08-568 % similar 5-Bromo-dl-tryptophan6548-09-068 % similar

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

Same formula

5-Ethoxy-1-(phenylmethyl)-2,4-imidazolidinedione65855-02-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook