2-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)acetic acid

C13H16N2O2 — CID 82055184

IUPAC2-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)acetic acid
SMILESCC(C)(C)c1nc2ccccn2c1CC(=O)O
InChIInChI=1S/C13H16N2O2/c1-13(2,3)12-9(8-11(16)17)15-7-5-4-6-10(15)14-12/h4-7H,8H2,1-3H3,(H,16,17)
InChIKeyXMDFFXSHMPNVLH-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.26
Rot. Bonds2

About 2-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)acetic acid

2-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)acetic acid (PubChem CID 82055184) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)acetic acid
PubChem CID82055184
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)acetic acid
SMILESCC(C)(C)c1nc2ccccn2c1CC(=O)O
InChIInChI=1S/C13H16N2O2/c1-13(2,3)12-9(8-11(16)17)15-7-5-4-6-10(15)14-12/h4-7H,8H2,1-3H3,(H,16,17)
InChIKeyXMDFFXSHMPNVLH-UHFFFAOYSA-N
XLogP2.26
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)acetic acid?
The IUPAC name of 2-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)acetic acid (CID 82055184) is 2-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)acetic acid.
What is the SMILES notation for 2-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)acetic acid?
The canonical SMILES for 2-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)acetic acid is CC(C)(C)c1nc2ccccn2c1CC(=O)O.
What is the InChIKey of 2-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)acetic acid?
The InChIKey is XMDFFXSHMPNVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-13(2,3)12-9(8-11(16)17)15-7-5-4-6-10(15)14-12/h4-7H,8H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)acetic acid?
2-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)acetic acid has a molecular weight of 232.28 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)acetic acid is sourced from PubChem (CID 82055184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).