2-[2-(dimethylamino)ethyl-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]acetic acid

C15H22N4O2 — CID 107425499

IUPAC2-[2-(dimethylamino)ethyl-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]acetic acid
SMILESCc1cccn2cc(CN(CCN(C)C)CC(=O)O)nc12
InChIInChI=1S/C15H22N4O2/c1-12-5-4-6-19-10-13(16-15(12)19)9-18(11-14(20)21)8-7-17(2)3/h4-6,10H,7-9,11H2,1-3H3,(H,20,21)
InChIKeyJOXURGAJHZIYCJ-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.09
Rot. Bonds7

About 2-[2-(dimethylamino)ethyl-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]acetic acid

2-[2-(dimethylamino)ethyl-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]acetic acid (PubChem CID 107425499) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]acetic acid
PubChem CID107425499
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-[2-(dimethylamino)ethyl-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]acetic acid
SMILESCc1cccn2cc(CN(CCN(C)C)CC(=O)O)nc12
InChIInChI=1S/C15H22N4O2/c1-12-5-4-6-19-10-13(16-15(12)19)9-18(11-14(20)21)8-7-17(2)3/h4-6,10H,7-9,11H2,1-3H3,(H,20,21)
InChIKeyJOXURGAJHZIYCJ-UHFFFAOYSA-N
XLogP1.09
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]acetic acid (CID 107425499) is 2-[2-(dimethylamino)ethyl-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]acetic acid is Cc1cccn2cc(CN(CCN(C)C)CC(=O)O)nc12.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]acetic acid?
The InChIKey is JOXURGAJHZIYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-12-5-4-6-19-10-13(16-15(12)19)9-18(11-14(20)21)8-7-17(2)3/h4-6,10H,7-9,11H2,1-3H3,(H,20,21).
What are the key properties of 2-[2-(dimethylamino)ethyl-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]acetic acid?
2-[2-(dimethylamino)ethyl-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]acetic acid has a molecular weight of 290.37 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]acetic acid is sourced from PubChem (CID 107425499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).