chempirical

3-Methoxy-O-methyl-L-tyrosine

C11H15NO4CAS 32161-30-1225.24 g/mol

Open in Covalent MOL file
ONH2OHOO
Carboxylic acidEtherPrimary amine

Properties

Molecular formula
C11H15NO4
Molar mass
225.24 g/mol
Exact mass
225.1001 Da
logP
0.66Crippen estimate
Polar surface area
81.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 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
32161-30-1
SMILES
COc1ccc(C[C@H](N)C(=O)O)cc1OC
InChIKey
VWTFNYVAFGYEKI-QMMMGPOBSA-N
InChI
InChI=1S/C11H15NO4/c1-15-9-4-3-7(6-10(9)16-2)5-8(12)11(13)14/h3-4,6,8H,5,12H2,1-2H3,(H,13,14)/t8-/m0/s1

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Names and synonyms

12 names
  • L-Tyrosine, 3-methoxy-O-methyl-
  • Alanine, 3-(3,4-dimethoxyphenyl)-, L-
  • 3,4-Dimethoxy-L-phenylalanine
  • β-(3,4-Dimethoxyphenyl)-L-alanine
  • DMPA
  • 3-(3,4-Dimethoxyphenyl)-L-alanine
  • (S)-3,4-Dimethoxyphenylalanine
  • L-Veratrylglycine
  • L-Dimethoxyphenylalanine
  • (S)-2-Amino-3-(3,4-dimethoxyphenyl)propanoic acid
  • (2S)-2-Amino-3-(3,4-dimethoxyphenyl)propanoic acid
  • 3,4-Dimethoxyphenylalanine, L-

Work with 3-Methoxy-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.

(S)-2-Amino-3-(3,4-dimethoxy-phenyl)-propionic acid55-59-4Stereo not defined

Similar compounds

3-O-Methyldopa7636-26-279 % similar O-Methyl-D-tyrosine39878-65-468 % similar O-Methyl-L-tyrosine6230-11-168 % similar 3-Methoxy-L-phenylalanine33879-32-266 % similar 3,4-Difluoro-L-phenylalanine31105-90-560 % similar Dl-3,4-difluorophenylalanine32133-36-160 % similar D-Dopa5796-17-858 % similar DOPA59-92-758 % similar

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

Same formula

3-Amino-3-(3,4-dimethoxyphenyl)propanoic acid34840-85-2 3-Amino-3-(3,4-dimethoxyphenyl)propanoic acid34841-09-3

Elsewhere

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