L-dopa zwitterion
C₉H₁₁NO₄·197.190 g/mol·CID 6971033
IUPAC: (2S)-2-azaniumyl-3-(3,4-dihydroxyphenyl)propanoate
Also known as: L-dihydroxy-phenylalanine, (2S)-2-ammonio-3-(3,4-dihydroxyphenyl)propanoate, CHEBI:57504
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
197.190g/mol
Exact Mass
197.068808Da
Monoisotopic Mass
197.068808Da
XLogP
-2.1
Polar Surface Area
108.0Ų
Complexity
203
Formal Charge
0
H-Bond Donors
3
H-Bond Acceptors
4
Rotatable Bonds
2
Heavy Atoms
14
Stereo Centers
1
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 197.2 g/mol
MW ≤ 500
✓ -2.1
LogP ≤ 5
✓ 3
H-bond donors ≤ 5
✓ 4
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
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-/m0/s1