2-methyl-3-(2-methylimidazo[1,2-a]pyridin-7-yl)propanoic acid

C12H14N2O2 — CID 83836460

IUPAC2-methyl-3-(2-methylimidazo[1,2-a]pyridin-7-yl)propanoic acid
SMILESCc1cn2ccc(CC(C)C(=O)O)cc2n1
InChIInChI=1S/C12H14N2O2/c1-8(12(15)16)5-10-3-4-14-7-9(2)13-11(14)6-10/h3-4,6-8H,5H2,1-2H3,(H,15,16)
InChIKeyWXEHXNICLSLTCP-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.91
Rot. Bonds3

About 2-methyl-3-(2-methylimidazo[1,2-a]pyridin-7-yl)propanoic acid

2-methyl-3-(2-methylimidazo[1,2-a]pyridin-7-yl)propanoic acid (PubChem CID 83836460) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-methyl-3-(2-methylimidazo[1,2-a]pyridin-7-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(2-methylimidazo[1,2-a]pyridin-7-yl)propanoic acid
PubChem CID83836460
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-methyl-3-(2-methylimidazo[1,2-a]pyridin-7-yl)propanoic acid
SMILESCc1cn2ccc(CC(C)C(=O)O)cc2n1
InChIInChI=1S/C12H14N2O2/c1-8(12(15)16)5-10-3-4-14-7-9(2)13-11(14)6-10/h3-4,6-8H,5H2,1-2H3,(H,15,16)
InChIKeyWXEHXNICLSLTCP-UHFFFAOYSA-N
XLogP1.91
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylimidazo[1,2-a]pyridin-7-yl)propanoic acid?
The IUPAC name of 2-methyl-3-(2-methylimidazo[1,2-a]pyridin-7-yl)propanoic acid (CID 83836460) is 2-methyl-3-(2-methylimidazo[1,2-a]pyridin-7-yl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(2-methylimidazo[1,2-a]pyridin-7-yl)propanoic acid?
The canonical SMILES for 2-methyl-3-(2-methylimidazo[1,2-a]pyridin-7-yl)propanoic acid is Cc1cn2ccc(CC(C)C(=O)O)cc2n1.
What is the InChIKey of 2-methyl-3-(2-methylimidazo[1,2-a]pyridin-7-yl)propanoic acid?
The InChIKey is WXEHXNICLSLTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8(12(15)16)5-10-3-4-14-7-9(2)13-11(14)6-10/h3-4,6-8H,5H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-3-(2-methylimidazo[1,2-a]pyridin-7-yl)propanoic acid?
2-methyl-3-(2-methylimidazo[1,2-a]pyridin-7-yl)propanoic acid has a molecular weight of 218.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylimidazo[1,2-a]pyridin-7-yl)propanoic acid is sourced from PubChem (CID 83836460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).