4-methyl-2-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pentanoic acid

C16H23N3O2 — CID 122127689

IUPAC4-methyl-2-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pentanoic acid
SMILESCc1cccn2c(CNCC(CC(C)C)C(=O)O)cnc12
InChIInChI=1S/C16H23N3O2/c1-11(2)7-13(16(20)21)8-17-9-14-10-18-15-12(3)5-4-6-19(14)15/h4-6,10-11,13,17H,7-9H2,1-3H3,(H,20,21)
InChIKeyAWFGYRHCAWYKQV-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.48
Rot. Bonds7

About 4-methyl-2-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pentanoic acid

4-methyl-2-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pentanoic acid (PubChem CID 122127689) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-methyl-2-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pentanoic acid
PubChem CID122127689
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-methyl-2-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pentanoic acid
SMILESCc1cccn2c(CNCC(CC(C)C)C(=O)O)cnc12
InChIInChI=1S/C16H23N3O2/c1-11(2)7-13(16(20)21)8-17-9-14-10-18-15-12(3)5-4-6-19(14)15/h4-6,10-11,13,17H,7-9H2,1-3H3,(H,20,21)
InChIKeyAWFGYRHCAWYKQV-UHFFFAOYSA-N
XLogP2.48
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pentanoic acid (CID 122127689) is 4-methyl-2-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pentanoic acid is Cc1cccn2c(CNCC(CC(C)C)C(=O)O)cnc12.
What is the InChIKey of 4-methyl-2-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pentanoic acid?
The InChIKey is AWFGYRHCAWYKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)7-13(16(20)21)8-17-9-14-10-18-15-12(3)5-4-6-19(14)15/h4-6,10-11,13,17H,7-9H2,1-3H3,(H,20,21).
What are the key properties of 4-methyl-2-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pentanoic acid?
4-methyl-2-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pentanoic acid has a molecular weight of 289.38 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pentanoic acid is sourced from PubChem (CID 122127689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).