L dops

C₉H₁₁NO₅ — CID 6989215

About L dops

L dops (PubChem CID 6989215) has the molecular formula C₉H₁₁NO₅ and a molecular weight of 213.19 g/mol. Its IUPAC name is (2S,3R)-2-azaniumyl-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate.

Molecular Properties

• Compound Name: L dops
• PubChem CID: 6989215
• Molecular Formula: C₉H₁₁NO₅
• Molecular Weight: 213.19 g/mol
• Exact Mass: 213.06
• IUPAC Name: (2S,3R)-2-azaniumyl-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate
• SMILES: [NH3+][C@H](C(=O)[O-])[C@H](O)c1ccc(O)c(O)c1
• InChI: InChI=1S/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)/t7-,8+/m0/s1
• InChIKey: QXWYKJLNLSIPIN-JGVFFNPUSA-N
• XLogP: -2.51
• TPSA: 128.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	213.19
LogP ≤ 5	-2.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of L dops?

The IUPAC name of L dops (CID 6989215) is (2S,3R)-2-azaniumyl-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate.

What is the SMILES notation for L dops?

The canonical SMILES for L dops is [NH3+][C@H](C(=O)[O-])[C@H](O)c1ccc(O)c(O)c1.

What is the InChIKey of L dops?

The InChIKey is QXWYKJLNLSIPIN-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)/t7-,8+/m0/s1.

What are the key properties of L dops?

L dops has a molecular weight of 213.19 g/mol, XLogP of -2.51, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for L dops is sourced from PubChem (CID 6989215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6989215 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 971 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.