2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]propanoic acid

C12H14ClN3O2 — CID 55096845

IUPAC2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)Cc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C12H14ClN3O2/c1-8(12(17)18)15(2)6-10-7-16-5-9(13)3-4-11(16)14-10/h3-5,7-8H,6H2,1-2H3,(H,17,18)
InChIKeyKZGOGSQVSHVMHY-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.89
Rot. Bonds4

About 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]propanoic acid

2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]propanoic acid (PubChem CID 55096845) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]propanoic acid
PubChem CID55096845
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)Cc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C12H14ClN3O2/c1-8(12(17)18)15(2)6-10-7-16-5-9(13)3-4-11(16)14-10/h3-5,7-8H,6H2,1-2H3,(H,17,18)
InChIKeyKZGOGSQVSHVMHY-UHFFFAOYSA-N
XLogP1.89
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]propanoic acid?
The IUPAC name of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]propanoic acid (CID 55096845) is 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]propanoic acid.
What is the SMILES notation for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]propanoic acid?
The canonical SMILES for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]propanoic acid is CC(C(=O)O)N(C)Cc1cn2cc(Cl)ccc2n1.
What is the InChIKey of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]propanoic acid?
The InChIKey is KZGOGSQVSHVMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-8(12(17)18)15(2)6-10-7-16-5-9(13)3-4-11(16)14-10/h3-5,7-8H,6H2,1-2H3,(H,17,18).
What are the key properties of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]propanoic acid?
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]propanoic acid has a molecular weight of 267.72 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl-methylamino]propanoic acid is sourced from PubChem (CID 55096845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).