chempirical

Methyl 2-amino-3-(1H-indol-3-yl)propanoate hydrochloride

C12H15ClN2O2CAS 5619-09-0254.71 g/mol

Open in Covalent MOL file
OOH2NNHHCl
EsterPrimary amine

Properties

Molecular formula
C12H15ClN2O2
Molar mass
254.71 g/mol
Exact mass
254.0822 Da
logP
1.63Crippen estimate
Polar surface area
68.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

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
5619-09-0
SMILES
COC(=O)C(N)Cc1c[nH]c2ccccc12.Cl
InChIKey
XNFNGGQRDXFYMM-UHFFFAOYSA-N
InChI
InChI=1S/C12H14N2O2.ClH/c1-16-12(15)10(13)6-8-7-14-11-5-3-2-4-9(8)11;/h2-5,7,10,14H,6,13H2,1H3;1H

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

Names and synonyms

6 names
  • Tryptophan, methyl ester, hydrochloride (1:1)
  • Tryptophan, methyl ester, hydrochloride, DL-
  • DL-Tryptophan, methyl ester, monohydrochloride
  • Tryptophan, methyl ester, monohydrochloride
  • DL-Methyl tryptophanate monohydrochloride
  • NSC 34498

Work with Methyl 2-amino-3-(1H-indol-3-yl)propanoate hydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Tryptophan methyl ester hydrochloride7524-52-9Defined stereoisomer (R)-Tryptophan methyl ester monohydrochloride14907-27-8Defined stereoisomer

Similar compounds

(S)-Tryptophan ethyl ester hydrochloride2899-28-776 % similar H-D-Trp-oet hcl61535-49-776 % similar H-D-Trp-obzl hcl22839-16-371 % similar L-Tryptophan benzyl ester hydrochloride35858-81-271 % similar Methyl (R)-phenylalaninate hydrochloride13033-84-660 % similar Methyl 3-phenyl-DL-alaninate hydrochloride5619-07-860 % similar Methyl L-phenylalaninate hydrochloride7524-50-760 % similar D-Tryptophan153-94-659 % similar

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

Same formula

L-Beta-homotryptophan hydrochloride192003-01-3

Elsewhere

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