chempirical

N-Methyldopa

C10H13NO4CAS 53663-27-7211.22 g/mol

Open in Covalent MOL file
HNOHOHOHO
Carboxylic acidPhenolSecondary amine

Properties

Molecular formula
C10H13NO4
Molar mass
211.22 g/mol
Exact mass
211.0845 Da
logP
0.31Crippen estimate
Polar surface area
89.8 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
4

Identifiers

CAS number
53663-27-7
SMILES
CNC(CC1=CC(=C(C=C1)O)O)C(=O)O
InChIKey
QZIWDCLHLOADPK-UHFFFAOYSA-N
InChI
InChI=1S/C10H13NO4/c1-11-7(10(14)15)4-6-2-3-8(12)9(13)5-6/h2-3,5,7,11-13H,4H2,1H3,(H,14,15)

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

Names and synonyms

7 names
  • 3-(3,4-Dihydroxyphenyl)-2-(methylamino)propanoic acid
  • 3-Hydroxy-N-methyltyrosine
  • N-Methyl-dopa
  • N-Methyl-3,4-dihydroxyphenylalanine
  • Beta-(3,4-dihydroxyphenyl)-N-methyl-alanine
  • 3,4-Dihydroxy-N-methylphenylalanine
  • 3-(3,4-Dihydroxyphenyl)-2-methylaminopropanoic acid

Work with N-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

Similar compounds

Salvianic acid A76822-21-461 % similar D-Dopa5796-17-860 % similar Dopa59-92-760 % similar Dl-dopa63-84-360 % similar N-Methyl-L-tryptophan526-31-848 % similar Nordihydroguaiaretic acid500-38-948 % similar Rosmarinic acid20283-92-546 % similar α-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxybenzenepropanoic acid537-15-546 % 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 (±)-Methyldopa55-40-3 (±)-Methyldopa555-29-3 Methyldopa555-30-6 6-Maleimidocaproic acid55750-53-3 3-O-Methyldopa7636-26-2

Elsewhere

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