2-(2-ethoxy-2-oxoethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid

C12H16N2O4 — CID 83966371

IUPAC2-(2-ethoxy-2-oxoethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
SMILESCCOC(=O)Cc1cn2c(n1)CC(C(=O)O)CC2
InChIInChI=1S/C12H16N2O4/c1-2-18-11(15)6-9-7-14-4-3-8(12(16)17)5-10(14)13-9/h7-8H,2-6H2,1H3,(H,16,17)
InChIKeyQSNBPVJGPTUROF-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.64
Rot. Bonds4

About 2-(2-ethoxy-2-oxoethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid

2-(2-ethoxy-2-oxoethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid (PubChem CID 83966371) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(2-ethoxy-2-oxoethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethoxy-2-oxoethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
PubChem CID83966371
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-(2-ethoxy-2-oxoethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
SMILESCCOC(=O)Cc1cn2c(n1)CC(C(=O)O)CC2
InChIInChI=1S/C12H16N2O4/c1-2-18-11(15)6-9-7-14-4-3-8(12(16)17)5-10(14)13-9/h7-8H,2-6H2,1H3,(H,16,17)
InChIKeyQSNBPVJGPTUROF-UHFFFAOYSA-N
XLogP0.64
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetate
CID 11254281
5H,6H,7H,8H-imidazo[1,5-a]pyridine-8-carboxylic acid
CID 82414298
2-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-2-yl}acetic acid hydrochloride
CID 122156770
2-(8-methyl-5H,6H,7H,8H-imidazo(1,2-a)pyridin-3-yl)acetic acid hydrochloride
CID 132371662
2-ethyl-5H,6H,7H,8H-imidazo(1,2-a)pyridine-7-carboxylic acid hydrochloride
CID 137943618
2-ethyl-5H,6H,7H,8H-imidazo[1,2-a]pyridine-6-carboxylic acid hydrochloride
CID 137945232
2-(5-Methylimidazo(1,2-a)pyrazin-2-yl)acetic acid dihydrochloride
CID 146155765
2-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-2-yl}acetic acid hydrobromide
CID 170911040
2-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-2-yl}acetic acid
CID 82111506
Ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate
CID 163390352
Ethyl 2-(imidazo[1,2-a]pyrazin-2-yl)acetate
CID 12674612
5-Methylimidazo[1,2-a]pyrazine-2-acetic acid
CID 10750225

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-2-oxoethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid?
The IUPAC name of 2-(2-ethoxy-2-oxoethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid (CID 83966371) is 2-(2-ethoxy-2-oxoethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-(2-ethoxy-2-oxoethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid?
The canonical SMILES for 2-(2-ethoxy-2-oxoethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid is CCOC(=O)Cc1cn2c(n1)CC(C(=O)O)CC2.
What is the InChIKey of 2-(2-ethoxy-2-oxoethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid?
The InChIKey is QSNBPVJGPTUROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-2-18-11(15)6-9-7-14-4-3-8(12(16)17)5-10(14)13-9/h7-8H,2-6H2,1H3,(H,16,17).
What are the key properties of 2-(2-ethoxy-2-oxoethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid?
2-(2-ethoxy-2-oxoethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-2-oxoethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 83966371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).