2-[2-methyl-8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-3-yl]acetic acid

C14H16N2O3 — CID 82055750

IUPAC2-[2-methyl-8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-3-yl]acetic acid
SMILESC=C(C)COc1cccn2c(CC(=O)O)c(C)nc12
InChIInChI=1S/C14H16N2O3/c1-9(2)8-19-12-5-4-6-16-11(7-13(17)18)10(3)15-14(12)16/h4-6H,1,7-8H2,2-3H3,(H,17,18)
InChIKeyJVMITDKKGNJTHV-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.22
Rot. Bonds5

About 2-[2-methyl-8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-3-yl]acetic acid

2-[2-methyl-8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-3-yl]acetic acid (PubChem CID 82055750) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[2-methyl-8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-3-yl]acetic acid
PubChem CID82055750
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[2-methyl-8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-3-yl]acetic acid
SMILESC=C(C)COc1cccn2c(CC(=O)O)c(C)nc12
InChIInChI=1S/C14H16N2O3/c1-9(2)8-19-12-5-4-6-16-11(7-13(17)18)10(3)15-14(12)16/h4-6H,1,7-8H2,2-3H3,(H,17,18)
InChIKeyJVMITDKKGNJTHV-UHFFFAOYSA-N
XLogP2.22
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[8-(2-amino-2-oxoethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]acetic acid
CID 82055736
8-(2-methylprop-2-enoxy)-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 93203846
2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 82055757
2-[8-(cyanomethoxy)-2-phenylimidazo[1,2-a]pyridin-3-yl]acetic acid
CID 94823631
2-[3-(2-aminoethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-N-butylacetamide
CID 82055769
2-(N-(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)anilino)acetic acid
CID 90090164
2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 82055784
2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzamide
CID 14368363
[2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]urea
CID 14368360
2-[8-methoxy-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 82223488
N-[4-methyl-3-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]acetamide
CID 14368356
1,2-bis(2-methylprop-2-enoxy)benzene
CID 10878622

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-3-yl]acetic acid?
The IUPAC name of 2-[2-methyl-8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-3-yl]acetic acid (CID 82055750) is 2-[2-methyl-8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[2-methyl-8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[2-methyl-8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-3-yl]acetic acid is C=C(C)COc1cccn2c(CC(=O)O)c(C)nc12.
What is the InChIKey of 2-[2-methyl-8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-3-yl]acetic acid?
The InChIKey is JVMITDKKGNJTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(2)8-19-12-5-4-6-16-11(7-13(17)18)10(3)15-14(12)16/h4-6H,1,7-8H2,2-3H3,(H,17,18).
What are the key properties of 2-[2-methyl-8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-3-yl]acetic acid?
2-[2-methyl-8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-3-yl]acetic acid has a molecular weight of 260.29 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-3-yl]acetic acid is sourced from PubChem (CID 82055750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).