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

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P301+P317, P304+P340, P319, P330, P403+P233, P405, P501

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.

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

Similar compounds

DL-α-Methylphenylalanine1132-26-974 % similar Alpha-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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