Dl-dopa

C₉H₁₁NO₄CAS 63-84-3197.19 g/mol

Open in Covalent MOL file

Carboxylic acid Phenol Primary amine

Properties

Molecular formula: C₉H₁₁NO₄
Molar mass: 197.19 g/mol
Exact mass: 197.0688 Da
Melting point: 270 °C (decomposes)
pKa: 2.21
logP: 0.05Crippen estimate
Polar surface area: 103.8 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed16.7% of notifiers
H315 Causes skin irritation91.7% of notifiers
H319 Causes serious eye irritation91.7% of notifiers
H335 May cause respiratory irritation89.6% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

63-84-3

SMILES

NC(Cc1ccc(O)c(O)c1)C(=O)O

InChIKey

WTDRDQBEARUVNC-UHFFFAOYSA-N

InChI

InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)

Weigh it out

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

Names and synonyms

26 names · show all

Tyrosine, 3-hydroxy-
Alanine, 3-(3,4-dihydroxyphenyl)-, DL-
DL-Tyrosine, 3-hydroxy-
3-Hydroxytyrosine
(±)-3,4-Dihydroxyphenylalanine
DL-Dioxyphenylalanine
DL-3,4-Dihydroxyphenylalanine
DL-3,4-DOPA
(±)-DOPA
DL-Dihydroxyphenylalanine
3-(3,4-Dihydroxyphenyl)-DL-alanine
3,4-Dihydroxy-DL-phenylalanine
(±)-3-(3,4-Dihydroxyphenyl)alanine
3′,4′-Dihydroxyphenylalanine
(R,S)-DOPA
DL-β-(3,4-Dihydroxyphenyl)alanine
DL-3-Hydroxytyrosine
3,4-Dihydroxyphenylalanine
Hydrocaffeic acid, α-amino-
3-(3,4-Dihydroxyphenyl)alanine
Phenylalanine, 3,4-dihydroxy-
Benzenepropanoic acid, α-amino-3,4-dihydroxy-
β-(3,4-Dihydroxyphenyl)-α-alanine
2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid
DL-4,5-Dihydroxyphenylalanine
NSC 16940

Work with Dl-dopa

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.

DOPA59-92-7Defined stereoisomer D-Dopa5796-17-8Defined stereoisomer

Similar compounds

3-Aminotyrosine300-34-576 % similar 3-Fluoro-DL-tyrosine403-90-774 % similar 3-Iodo-L-tyrosine70-78-074 % similar 3-Chloro-L-tyrosine7423-93-074 % similar 3-Fluoro-L-tyrosine7423-96-374 % similar 3-Amino-L-tyrosine dihydrochloride23279-22-371 % similar 3-O-Methyldopa7636-26-269 % similar Nitrotyrosine621-44-367 % similar

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

Same formula

2,4-Dihydroxy-N-(2-hydroxyethyl)benzamide24207-41-8 4-Hydroxy-3,5-dimethoxybenzamide3086-72-4 2-Amino-4,5-dimethoxybenzoic acid5653-40-7 5-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)pentanoic acid57078-99-6 Ethyl 2,4-dihydroxy-6-methyl-3-pyridinecarboxylate70254-52-3 4,5-Dimethoxy-2-nitrotoluene7509-11-7

Elsewhere

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