N-(Hydroxymethylidene)tryptophan

C₁₂H₁₂N₂O₃CAS 16108-03-5232.24 g/mol

Open in Covalent MOL file

Amide Carboxylic acid

Properties

Molecular formula: C₁₂H₁₂N₂O₃
Molar mass: 232.24 g/mol
Exact mass: 232.0848 Da
logP: 0.91Crippen estimate
Polar surface area: 82.2 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 5

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

16108-03-5

SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC=O

InChIKey

RNEMLJPSSOJRHX-UHFFFAOYSA-N

InChI

InChI=1S/C12H12N2O3/c15-7-14-11(12(16)17)5-8-6-13-10-4-2-1-3-9(8)10/h1-4,6-7,11,13H,5H2,(H,14,15)(H,16,17)

Weigh it out

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

Names and synonyms

1 names

N-Formyl-dl-tryptophan

Work with N-(Hydroxymethylidene)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

N-Methyl-L-tryptophan526-31-870 % similar Indole-3-lactic acid1821-52-962 % similar D-Tryptophan153-94-660 % similar (±)-Tryptophan54-12-660 % similar Tryptophan73-22-360 % similar Valyltryptophan24587-37-958 % similar Fmoc-D-tryptophan86123-11-757 % similar Indoleacetyl phenylalanine57105-50-756 % similar

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

Same formula

Nalidixic acid389-08-2 Phenobarbital50-06-6 2-Amino-3-(1,2-dihydro-2-oxoquinoline-4-yl)propanoic acid5162-90-3 1,3-Dimethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione7391-66-4 Dazoxiben78218-09-4 1-Phenyl-3-carbethoxy-5-pyrazolone89-33-8

Elsewhere

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