6-[2-carboxyethyl(ethyl)amino]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid

C14H17N3O4 — CID 117099226

IUPAC6-[2-carboxyethyl(ethyl)amino]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCN(CCC(=O)O)c1ccc2nc(C)c(C(=O)O)n2c1
InChIInChI=1S/C14H17N3O4/c1-3-16(7-6-12(18)19)10-4-5-11-15-9(2)13(14(20)21)17(11)8-10/h4-5,8H,3,6-7H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyBMOFETFSHUNBNA-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.64
Rot. Bonds6

About 6-[2-carboxyethyl(ethyl)amino]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid

6-[2-carboxyethyl(ethyl)amino]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 117099226) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 6-[2-carboxyethyl(ethyl)amino]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-carboxyethyl(ethyl)amino]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID117099226
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name6-[2-carboxyethyl(ethyl)amino]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCN(CCC(=O)O)c1ccc2nc(C)c(C(=O)O)n2c1
InChIInChI=1S/C14H17N3O4/c1-3-16(7-6-12(18)19)10-4-5-11-15-9(2)13(14(20)21)17(11)8-10/h4-5,8H,3,6-7H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyBMOFETFSHUNBNA-UHFFFAOYSA-N
XLogP1.64
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-carboxyethyl(ethyl)amino]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-carboxyethyl(ethyl)amino]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid (CID 117099226) is 6-[2-carboxyethyl(ethyl)amino]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-carboxyethyl(ethyl)amino]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-carboxyethyl(ethyl)amino]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid is CCN(CCC(=O)O)c1ccc2nc(C)c(C(=O)O)n2c1.
What is the InChIKey of 6-[2-carboxyethyl(ethyl)amino]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is BMOFETFSHUNBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-3-16(7-6-12(18)19)10-4-5-11-15-9(2)13(14(20)21)17(11)8-10/h4-5,8H,3,6-7H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 6-[2-carboxyethyl(ethyl)amino]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
6-[2-carboxyethyl(ethyl)amino]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-carboxyethyl(ethyl)amino]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 117099226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).