(±)-Methyldopa

C10H13NO4CAS 55-40-3211.22 g/mol

Open in Covalent MOL file
NH2OHOHOHO
Carboxylic acidPhenolPrimary amine

Properties

Molecular formula
C10H13NO4
Molar mass
211.22 g/mol
Exact mass
211.0845 Da
Melting point
299–300.5 °C (decomposes)
pKa
2.21
logP
0.44Crippen estimate
Polar surface area
103.8 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
55-40-3
SMILES
CC(N)(Cc1ccc(O)c(O)c1)C(=O)O
InChIKey
CJCSPKMFHVPWAR-UHFFFAOYSA-N
InChI
InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)

Weigh it out

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

Names and synonyms

16 names · show all
  • Tyrosine, 3-hydroxy-α-methyl-
  • Alanine, 3-(3,4-dihydroxyphenyl)-2-methyl-
  • 3-Hydroxy-α-methyltyrosine
  • Racemic α-methyldopa
  • DL-α-Methyl DOPA
  • (±)-α-Methyldopa
  • DL-Methyldopa
  • Metholes
  • Mulfasin
  • DL-2-Methyl-3-(3,4-dihydroxyphenyl)alanine
  • DL-α-Methyl-3-(3,4-dihydroxyphenyl)alanine
  • 2-(3,4-Dihydroxybenzyl)-2-aminopropanoic acid
  • 3-Hydroxy-α-methyl-DL-tyrosine
  • 2-Amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid
  • 2-Azaniumyl-3-(3,4-dihydroxyphenyl)-2-methylpropanoate
  • Alpha-methyldopa

Work with (±)-Methyldopa

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.

(-)-3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine sesquihydrate41372-08-1Hydrate, defined stereoisomer Methyldopa555-30-6Defined stereoisomer (±)-Methyldopa555-29-3

Similar compounds

Alpha-Methyl-p-tyrosine658-48-068 % similar Metyrosine672-87-768 % similar Carbidopa28860-95-966 % similar DL-α-Methylphenylalanine1132-26-964 % similar Alpha-Methyl-D-phenylalanine17350-84-464 % similar α-Methyl-L-phenylalanine23239-35-264 % similar 2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid10128-06-062 % similar Carbidopa monohydrate38821-49-762 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,4-Diethoxy-2-nitrobenzene119-23-3 Methyl 6-amino-3,4-dimethoxybenzoate26759-46-6 3,4,5-Trimethoxybenzamide3086-62-2 N-Methyldopa53663-27-7 4-(Ethoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid5442-91-1 6-Maleimidocaproic acid55750-53-3

Elsewhere

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