Methyl (R)-phenylalaninate hydrochloride

C10H14ClNO2CAS 13033-84-6215.68 g/mol

Open in Covalent MOL file
OOH2NHCl
EsterPrimary amine

Properties

Molecular formula
C10H14ClNO2
Molar mass
215.68 g/mol
Exact mass
215.0713 Da
Melting point
156–158 °C
logP
1.15Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3
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
13033-84-6
SMILES
COC(=O)[C@H](N)Cc1ccccc1.Cl
InChIKey
SWVMLNPDTIFDDY-SBSPUUFOSA-N
InChI
InChI=1S/C10H13NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-;/m1./s1

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

Names and synonyms

7 names
  • D-Phenylalanine, methyl ester, hydrochloride (1:1)
  • Alanine, phenyl-, methyl ester, hydrochloride, D-
  • D-Phenylalanine, methyl ester, hydrochloride
  • Methyl D-phenylalaninate hydrochloride
  • (R)-Phenylalanine methyl ester hydrochloride
  • D-Phe-OMe monohydrochloride
  • (R)-Methyl 2-amino-3-phenylpropanoate hydrochloride

Work with Methyl (R)-phenylalaninate 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.

Phenylalanine methyl ester2577-90-4Free base, enantiomer Methyl L-phenylalaninate hydrochloride7524-50-7Enantiomer Methyl 3-phenyl-DL-alaninate hydrochloride5619-07-8Stereo not defined

Similar compounds

H-Tyr(bzl)-OMe.HCl34805-17-979 % similar DL-(p-Chlorophenyl)alanine methyl ester hydrochloride14173-40-173 % similar 4-Chloro-D-phenylalanine methyl ester hydrochloride33965-47-873 % similar Methyl L-tyrosinate hydrochloride3417-91-273 % similar Methyl D-tyrosinate hydrochloride3728-20-973 % similar Methyl 4-bromo-L-phenylalaninate hydrochloride99359-32-773 % similar O-Benzyl-L-serine methyl ester hydrochloride19525-87-271 % similar Phenylalanine ethyl ester hydrochloride3182-93-270 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-2-Amino-4-phenylbutanoic acid hydrochloride105382-09-0 (S)-3-Amino-4-phenylbutyric acid hydrochloride138165-77-2 (S)-3-Amino-3-phenyl propionic acid methylester hcl144494-72-4 (3R)-3-Amino-4-phenylbutanoic acid hydrochloride145149-50-4 Ethyl D-phenylglycinate hydrochloride17609-48-2 4-Amino-3-phenylbutyric acid hydrochloride3060-41-1 Alanine benzyl ester hydrochloride5557-83-5

Elsewhere

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