6-[2-carboxyethyl(methyl)amino]imidazo[1,2-a]pyridine-2-carboxylic acid

C12H13N3O4 — CID 117099199

IUPAC6-[2-carboxyethyl(methyl)amino]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCN(CCC(=O)O)c1ccc2nc(C(=O)O)cn2c1
InChIInChI=1S/C12H13N3O4/c1-14(5-4-11(16)17)8-2-3-10-13-9(12(18)19)7-15(10)6-8/h2-3,6-7H,4-5H2,1H3,(H,16,17)(H,18,19)
InChIKeyWIOMGHGAYTYCRY-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.94
Rot. Bonds5

About 6-[2-carboxyethyl(methyl)amino]imidazo[1,2-a]pyridine-2-carboxylic acid

6-[2-carboxyethyl(methyl)amino]imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 117099199) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 6-[2-carboxyethyl(methyl)amino]imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-carboxyethyl(methyl)amino]imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID117099199
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name6-[2-carboxyethyl(methyl)amino]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCN(CCC(=O)O)c1ccc2nc(C(=O)O)cn2c1
InChIInChI=1S/C12H13N3O4/c1-14(5-4-11(16)17)8-2-3-10-13-9(12(18)19)7-15(10)6-8/h2-3,6-7H,4-5H2,1H3,(H,16,17)(H,18,19)
InChIKeyWIOMGHGAYTYCRY-UHFFFAOYSA-N
XLogP0.94
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[ethyl(2-hydroxyethyl)amino]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 117099190
6-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 117099179
N-[2-(dimethylamino)ethyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 87051424
6-methoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 83837508
6-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 68615554
2-[6-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82022029
6-anilinoimidazo[1,2-a]pyridine-2-carboxylic acid
CID 138634473
6-(aminomethyl)-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 167948650
6-formylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 23155605
3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-oxopropanoic acid
CID 170887196
3-(N-methyl-4-propan-2-ylanilino)propanoic acid
CID 17244983
6-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid;hydrobromide
CID 175367606

Frequently Asked Questions

What is the IUPAC name of 6-[2-carboxyethyl(methyl)amino]imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-carboxyethyl(methyl)amino]imidazo[1,2-a]pyridine-2-carboxylic acid (CID 117099199) is 6-[2-carboxyethyl(methyl)amino]imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-carboxyethyl(methyl)amino]imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-carboxyethyl(methyl)amino]imidazo[1,2-a]pyridine-2-carboxylic acid is CN(CCC(=O)O)c1ccc2nc(C(=O)O)cn2c1.
What is the InChIKey of 6-[2-carboxyethyl(methyl)amino]imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is WIOMGHGAYTYCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-14(5-4-11(16)17)8-2-3-10-13-9(12(18)19)7-15(10)6-8/h2-3,6-7H,4-5H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 6-[2-carboxyethyl(methyl)amino]imidazo[1,2-a]pyridine-2-carboxylic acid?
6-[2-carboxyethyl(methyl)amino]imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 263.25 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-carboxyethyl(methyl)amino]imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 117099199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).