O-Methyl-L-tyrosine

C10H13NO3CAS 6230-11-1195.22 g/mol

Open in Covalent MOL file
ONH2OHO
Carboxylic acidEtherPrimary amine

Properties

Molecular formula
C10H13NO3
Molar mass
195.22 g/mol
Exact mass
195.0895 Da
Melting point
295 °C
logP
0.65Crippen estimate
Polar surface area
72.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
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, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
6230-11-1
SMILES
COc1ccc(C[C@H](N)C(=O)O)cc1
InChIKey
GEYBMYRBIABFTA-VIFPVBQESA-N
InChI
InChI=1S/C10H13NO3/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1

Weigh it out

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

Names and synonyms

11 names
  • L-Tyrosine, O-methyl-
  • Alanine, 3-(p-methoxyphenyl)-, L-
  • O-Methyltyrosine
  • p-Methoxy-L-phenylalanine
  • β-(4-Methoxyphenyl)-L-alanine
  • L-4-Methoxyphenylalanine
  • L-O-Methyltyrosine
  • NSC 30082
  • L-Tyrosine methyl ether
  • (S)-2-Amino-3-(4-methoxyphenyl)propanoic acid
  • (2S)-2-Amino-3-(4-methoxyphenyl)propanoic acid

Work with O-Methyl-L-tyrosine

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.

O-Methyl-D-tyrosine39878-65-4Enantiomer

Similar compounds

H-D-Tyr(tbu)-oh186698-58-868 % similar O-tert-Butyl-L-tyrosine18822-59-868 % similar 3-Methoxy-O-methyl-L-tyrosine32161-30-168 % similar (S)-2-Amino-3-(3,4-dimethoxy-phenyl)-propionic acid55-59-468 % similar DL-Thyronine1034-10-268 % similar Thyronine1596-67-468 % similar 4-Methyl-L-phenylalanine1991-87-366 % similar 4-Methyl-D-phenylalanine49759-61-766 % 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

Elsewhere

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