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N-Methyl-L-DOPA

CAT: 0024-sc-483510Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-483510Size:10 mg
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CAS Number
70152-53-3

Chemical Information

3-Hydroxy-N-methyl-L-tyrosine

N-methyl-L-dopa is the L-enantiomer of N-methyldopa. It is functionally related to a L-dopa. It is an enantiomer of a N-methyl-D-dopa. It is a tautomer of a N-methyl-L-dopa zwitterion.

CAS Number70152-53-3
PubChem CID23620856
IUPAC Name(2S)-3-(3,4-dihydroxyphenyl)-2-(methylamino)propanoic acid
Molecular FormulaC10H13NO4
Molecular Weight211.21
XLogP-2.2
Topological Polar Surface Area89.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity221
SMILES
CN[C@@H](CC1=CC(=C(C=C1)O)O)C(=O)O
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)/t7-/m0/s1
InChIKey
QZIWDCLHLOADPK-ZETCQYMHSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxy-N-methyl-L-tyrosine
CAS: 70152-53-3
CID: 23620856
Formula: C10H13NO4
MW: 211.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight211.21
XLogP3-2.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass211.08445790
Monoisotopic Mass211.08445790
Topological Polar Surface Area89.8 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