H-D-Phe-oet hcl

C₁₁H₁₆ClNO₂CAS 63060-94-6229.70 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₁₁H₁₆ClNO₂
Molar mass: 229.70 g/mol
Exact mass: 229.0870 Da
logP: 1.54Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 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. Search the SDS library

Identifiers

CAS number

63060-94-6

SMILES

CCOC(=O)[C@@H](CC1=CC=CC=C1)N.Cl

InChIKey

FPFQPLFYTKMCHN-HNCPQSOCSA-N

InChI

InChI=1S/C11H15NO2.ClH/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9;/h3-7,10H,2,8,12H2,1H3;1H/t10-;/m1./s1

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Names and synonyms

1 names

(R)-Ethyl 2-amino-3-phenylpropanoate hydrochloride

Work with H-D-Phe-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.

Phenylalanine ethyl ester hydrochloride3182-93-2Enantiomer

Similar compounds

(S)-Ethyl 2-amino-4-phenylbutanoate hydrochloride90891-21-778 % similar Phenylalanine benzyl ester hydrochloride2462-32-074 % similar D-Tyrosine, ethyl ester, hydrochloride (1:1)23234-43-774 % similar Ethyl L-tyrosinate hydrochloride4089-07-074 % similar DL-p-Chlorophenylalanine ethyl ester hydrochloride52031-05-774 % similar Methyl (R)-phenylalaninate hydrochloride13033-84-670 % similar (±)-Phenylalanine methyl ester hydrochloride5619-07-870 % similar Methyl L-phenylalaninate hydrochloride7524-50-770 % similar

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

Same formula

2-(Chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine117977-20-5 (S)-3-Amino-3-phenylpropanoic acid ethyl ester hydrochloride167834-24-4 (R)-3-Amino-4-(p-tolyl)butanoic acid hydrochloride177839-85-9 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride2328-12-3 (R)-3-Amino-4-(3-methylphenyl)butanoic acid hydrochloride269398-82-5

Elsewhere

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