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3-O-Methyldopa

CAT: 0013-GTR19277542-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19277542-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
3-O-Methyldopa (3-OMD) is the primary metabolite of L-DOPA formed by COMT. It serves as a clinical biomarker in Parkinson's disease research to monitor L-DOPA metabolism and pharmacological response.
CAS Number
300-48-1
Purity
99.62% (May vary between batches)
Smiles
C ([C@@H] (C (O) =O) N) C1=CC (OC) =C (O) C=C1
Molecular Formula
C10H13NO4
Molecular Weight
211.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-methoxy-L-tyrosine

3-O-methyldopa is a L-tyrosine derivative that is the 3-methoxy derivative of L-dopa. It has a role as a human metabolite. It is a monomethoxybenzene, a L-tyrosine derivative and a non-proteinogenic L-alpha-amino acid. It is functionally related to a L-dopa. It is a tautomer of a 3-O-methyldopa zwitterion.

CAS Number300-48-1
PubChem CID9307
IUPAC Name(2S)-2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
Molecular FormulaC10H13NO4
Molecular Weight211.21
XLogP-2.4
Topological Polar Surface Area92.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity221
SMILES
COC1=C(C=CC(=C1)C[C@@H](C(=O)O)N)O
InChI
InChI=1S/C10H13NO4/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14)/t7-/m0/s1
InChIKey
PFDUUKDQEHURQC-ZETCQYMHSA-N
Chemical Structure
2D Structure
2D structure of 3-methoxy-L-tyrosine
CAS: 300-48-1
CID: 9307
Formula: C10H13NO4
MW: 211.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight211.21
XLogP3-2.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass211.08445790
Monoisotopic Mass211.08445790
Topological Polar Surface Area92.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity221
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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