chempirical

5-(Phenylmethoxy)tryptophan

C18H18N2O3CAS 6383-70-6310.35 g/mol

Open in Covalent MOL file
NH2HNOOHO
Carboxylic acidEtherPrimary amine

Properties

Molecular formula
C18H18N2O3
Molar mass
310.35 g/mol
Exact mass
310.1317 Da
Melting point
275–276 °C (decomposes)
logP
2.70Crippen estimate
Polar surface area
88.3 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
6

Identifiers

CAS number
6383-70-6
SMILES
NC(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)O
InChIKey
DFGNDJBYANKHIO-UHFFFAOYSA-N
InChI
InChI=1S/C18H18N2O3/c19-16(18(21)22)8-13-10-20-17-7-6-14(9-15(13)17)23-11-12-4-2-1-3-5-12/h1-7,9-10,16,20H,8,11,19H2,(H,21,22)

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

Names and synonyms

11 names
  • Tryptophan, 5-(phenylmethoxy)-
  • Tryptophan, 5-(benzyloxy)-
  • 5-Benzyloxytryptophan
  • DL-5-(Benzyloxy)tryptophan
  • 5-(Phenylmethoxy)-DL-tryptophan
  • 5-Benzyloxy-DL-tryptophan
  • NSC 56424
  • 2-Amino-3-(5-(benzyloxy)-1H-indol-3-yl)propanoic acid
  • 2-Amino-3-(5-benzyloxy-1H-indol-3-yl)-propionic acid
  • 2-Azaniumyl-3-(5-phenylmethoxy-1H-indol-3-yl)propanoate
  • 2-Amino-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid

Work with 5-(Phenylmethoxy)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-Methoxy-dl-tryptophan28052-84-869 % similar D-Tryptophan153-94-665 % similar (±)-Tryptophan54-12-665 % similar (±)-5-Hydroxytryptophan114-03-464 % similar 5-Hydroxytryptophan4350-09-864 % similar (±)-5-Hydroxytryptophan56-69-964 % similar (±)-5-Hydroxytryptophan72572-98-664 % similar O-Benzyl-L-tyrosine16652-64-563 % similar

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

Same formula

Orantinib252916-29-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook