chempirical

Metyrosine

C10H13NO3CAS 672-87-7195.22 g/mol

Open in Covalent MOL file
NH2OHOHO
Carboxylic acidPhenolPrimary amine

Properties

Molecular formula
C10H13NO3
Molar mass
195.22 g/mol
Exact mass
195.0895 Da
Melting point
312.5 °C
logP
0.74Crippen estimate
Polar surface area
83.5 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3
Stereocentres
Sin 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
672-87-7
SMILES
C[C@](N)(Cc1ccc(O)cc1)C(=O)O
InChIKey
NHTGHBARYWONDQ-JTQLQIEISA-N
InChI
InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)/t10-/m0/s1

Weigh it out

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

Names and synonyms

14 names · show all
  • L-Tyrosine, α-methyl-
  • Tyrosine, α-methyl-, L-
  • α-Methyl-L-tyrosine
  • L-α-Methyltyrosine
  • L-α-Methyl-p-tyrosine
  • (S)-α-Methyltyrosine
  • L(-)-Metyrosine
  • Metirosine
  • Demser
  • L-Metyrosine
  • MK 781
  • L-α-MT
  • (S)-2-(4-Hydroxybenzyl)-2-aminopropanoic acid
  • (2S)-2-Amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid

Work with Metyrosine

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.

α-Methyl-p-tyrosine658-48-0Stereo not defined

Similar compounds

DL-α-Methylphenylalanine1132-26-974 % similar α-Methyl-D-phenylalanine17350-84-474 % similar α-Methyl-L-phenylalanine23239-35-274 % similar (±)-Methyldopa55-40-368 % similar (±)-Methyldopa555-29-368 % similar Methyldopa555-30-668 % similar (-)-3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine sesquihydrate41372-08-163 % similar 2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid10128-06-059 % similar

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

Same formula

O-(Phenylmethyl)-D-serine10433-52-0 Methyl L-tyrosinate1080-06-4 (S)-3-Amino-3-(4-methoxy-phenyl)-propionic acid131690-56-7 (R)-3-Amino-3-(4-methoxy-phenyl)-propionic acid131690-57-8 Ethyl 2-formyl-3,5-dimethylpyrrole-4-carboxylate2199-59-9 4-tert-Butyl-2-nitrophenol3279-07-0 3-Methoxy-L-phenylalanine33879-32-2 O-Methyl-D-tyrosine39878-65-4

Elsewhere

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