H-D-Trp-oet hcl

C13H17ClN2O2CAS 61535-49-7268.74 g/mol

Open in Covalent MOL file
OONHH2NHCl
EsterPrimary amine

Properties

Molecular formula
C13H17ClN2O2
Molar mass
268.74 g/mol
Exact mass
268.0979 Da
logP
2.02Crippen estimate
Polar surface area
68.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
61535-49-7
SMILES
CCOC(=O)[C@@H](CC1=CNC2=CC=CC=C21)N.Cl
InChIKey
PESYCVVSLYSXAK-RFVHGSKJSA-N
InChI
InChI=1S/C13H16N2O2.ClH/c1-2-17-13(16)11(14)7-9-8-15-12-6-4-3-5-10(9)12;/h3-6,8,11,15H,2,7,14H2,1H3;1H/t11-;/m1./s1

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Work with H-D-Trp-oet hcl

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.

(S)-Tryptophan ethyl ester hydrochloride2899-28-7Enantiomer

Similar compounds

(R)-Tryptophan methyl ester monohydrochloride14907-27-876 % similar Methyl 2-amino-3-(1H-indol-3-yl)propanoate hydrochloride5619-09-076 % similar Tryptophan methyl ester hydrochloride7524-52-976 % similar H-D-Trp-obzl hcl22839-16-375 % similar L-Tryptophan benzyl ester hydrochloride35858-81-275 % similar Phenylalanine ethyl ester hydrochloride3182-93-261 % similar H-D-Phe-oet hcl63060-94-661 % similar N-Acetyl-L-tryptophan ethyl ester2382-80-159 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Moclobemide71320-77-9

Elsewhere

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