2-hydroxy-4-(2-phosphonoimidazo[1,2-a]pyridin-6-yl)butanoic acid

C11H13N2O6P — CID 19701399

IUPAC2-hydroxy-4-(2-phosphonoimidazo[1,2-a]pyridin-6-yl)butanoic acid
SMILESO=C(O)C(O)CCc1ccc2nc(P(=O)(O)O)cn2c1
InChIInChI=1S/C11H13N2O6P/c14-8(11(15)16)3-1-7-2-4-9-12-10(20(17,18)19)6-13(9)5-7/h2,4-6,8,14H,1,3H2,(H,15,16)(H2,17,18,19)
InChIKeyWIKXEWNEQNIJNX-UHFFFAOYSA-N
MW300.21 g/mol
LogP-0.48
Rot. Bonds5

About 2-hydroxy-4-(2-phosphonoimidazo[1,2-a]pyridin-6-yl)butanoic acid

2-hydroxy-4-(2-phosphonoimidazo[1,2-a]pyridin-6-yl)butanoic acid (PubChem CID 19701399) has the molecular formula C11H13N2O6P and a molecular weight of 300.21 g/mol. Its IUPAC name is 2-hydroxy-4-(2-phosphonoimidazo[1,2-a]pyridin-6-yl)butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(2-phosphonoimidazo[1,2-a]pyridin-6-yl)butanoic acid
PubChem CID19701399
Molecular FormulaC11H13N2O6P
Molecular Weight300.21 g/mol
Exact Mass300.05
IUPAC Name2-hydroxy-4-(2-phosphonoimidazo[1,2-a]pyridin-6-yl)butanoic acid
SMILESO=C(O)C(O)CCc1ccc2nc(P(=O)(O)O)cn2c1
InChIInChI=1S/C11H13N2O6P/c14-8(11(15)16)3-1-7-2-4-9-12-10(20(17,18)19)6-13(9)5-7/h2,4-6,8,14H,1,3H2,(H,15,16)(H2,17,18,19)
InChIKeyWIKXEWNEQNIJNX-UHFFFAOYSA-N
XLogP-0.48
TPSA132.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(2-phosphonoimidazo[1,2-a]pyridin-6-yl)butanoic acid?
The IUPAC name of 2-hydroxy-4-(2-phosphonoimidazo[1,2-a]pyridin-6-yl)butanoic acid (CID 19701399) is 2-hydroxy-4-(2-phosphonoimidazo[1,2-a]pyridin-6-yl)butanoic acid.
What is the SMILES notation for 2-hydroxy-4-(2-phosphonoimidazo[1,2-a]pyridin-6-yl)butanoic acid?
The canonical SMILES for 2-hydroxy-4-(2-phosphonoimidazo[1,2-a]pyridin-6-yl)butanoic acid is O=C(O)C(O)CCc1ccc2nc(P(=O)(O)O)cn2c1.
What is the InChIKey of 2-hydroxy-4-(2-phosphonoimidazo[1,2-a]pyridin-6-yl)butanoic acid?
The InChIKey is WIKXEWNEQNIJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N2O6P/c14-8(11(15)16)3-1-7-2-4-9-12-10(20(17,18)19)6-13(9)5-7/h2,4-6,8,14H,1,3H2,(H,15,16)(H2,17,18,19).
What are the key properties of 2-hydroxy-4-(2-phosphonoimidazo[1,2-a]pyridin-6-yl)butanoic acid?
2-hydroxy-4-(2-phosphonoimidazo[1,2-a]pyridin-6-yl)butanoic acid has a molecular weight of 300.21 g/mol, XLogP of -0.48, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(2-phosphonoimidazo[1,2-a]pyridin-6-yl)butanoic acid is sourced from PubChem (CID 19701399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).