3-[[2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetyl]-methylamino]propanoic acid

C13H13Cl2N3O3 — CID 119362699

IUPAC3-[[2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)Cc1cn2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C13H13Cl2N3O3/c1-17(3-2-12(20)21)11(19)5-9-7-18-6-8(14)4-10(15)13(18)16-9/h4,6-7H,2-3,5H2,1H3,(H,20,21)
InChIKeyXYMNOGQJXCHIQN-UHFFFAOYSA-N
MW330.17 g/mol
LogP2.12
Rot. Bonds5

About 3-[[2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetyl]-methylamino]propanoic acid

3-[[2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetyl]-methylamino]propanoic acid (PubChem CID 119362699) has the molecular formula C13H13Cl2N3O3 and a molecular weight of 330.17 g/mol. Its IUPAC name is 3-[[2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetyl]-methylamino]propanoic acid
PubChem CID119362699
Molecular FormulaC13H13Cl2N3O3
Molecular Weight330.17 g/mol
Exact Mass329.03
IUPAC Name3-[[2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)Cc1cn2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C13H13Cl2N3O3/c1-17(3-2-12(20)21)11(19)5-9-7-18-6-8(14)4-10(15)13(18)16-9/h4,6-7H,2-3,5H2,1H3,(H,20,21)
InChIKeyXYMNOGQJXCHIQN-UHFFFAOYSA-N
XLogP2.12
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetyl]-methylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetyl]-methylamino]propanoic acid (CID 119362699) is 3-[[2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetyl]-methylamino]propanoic acid is CN(CCC(=O)O)C(=O)Cc1cn2cc(Cl)cc(Cl)c2n1.
What is the InChIKey of 3-[[2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetyl]-methylamino]propanoic acid?
The InChIKey is XYMNOGQJXCHIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O3/c1-17(3-2-12(20)21)11(19)5-9-7-18-6-8(14)4-10(15)13(18)16-9/h4,6-7H,2-3,5H2,1H3,(H,20,21).
What are the key properties of 3-[[2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetyl]-methylamino]propanoic acid?
3-[[2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetyl]-methylamino]propanoic acid has a molecular weight of 330.17 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetyl]-methylamino]propanoic acid is sourced from PubChem (CID 119362699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).