chempirical

D-Dopa

C9H11NO4CAS 5796-17-8197.19 g/mol

Open in Covalent MOL file
H2NOHOHOOH
Carboxylic acidPhenolPrimary amine

Properties

Molecular formula
C9H11NO4
Molar mass
197.19 g/mol
Exact mass
197.0688 Da
Melting point
274.5–276 °C (decomposes)
logP
0.05Crippen estimate
Polar surface area
103.8 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
3
Stereocentres
Rin 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
5796-17-8
SMILES
N[C@H](Cc1ccc(O)c(O)c1)C(=O)O
InChIKey
WTDRDQBEARUVNC-ZCFIWIBFSA-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)/t6-/m1/s1

Weigh it out

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

Names and synonyms

14 names · show all
  • D-Tyrosine, 3-hydroxy-
  • Alanine, 3-(3,4-dihydroxyphenyl)-, D-
  • 3-Hydroxy-D-tyrosine
  • D-3,4-Dihydroxyphenylalanine
  • 3-(3,4-Dihydroxyphenyl)-D-alanine
  • 3,4-Dihydroxy-D-phenylalanine
  • (+)-3-(3,4-Dihydroxyphenyl)alanine
  • D-3-Hydroxytyrosine
  • β-(3,4-Dihydroxy)-D-phenylalanine
  • (+)-Dopa
  • D-3-(3,4-Dihydroxyphenyl)alanine
  • (R)-2-Amino-3-(3,4-dihydroxyphenyl)propanoicacid
  • (R)-2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid
  • Dopa d-form

Work with D-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.

DOPA59-92-7Enantiomer Dl-dopa63-84-3Stereo not defined

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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