3-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]propanoic acid

C13H17N3O2 — CID 119911563

IUPAC3-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]propanoic acid
SMILESCc1cccc2nc(CN(C)CCC(=O)O)cn12
InChIInChI=1S/C13H17N3O2/c1-10-4-3-5-12-14-11(9-16(10)12)8-15(2)7-6-13(17)18/h3-5,9H,6-8H2,1-2H3,(H,17,18)
InChIKeyDUAACTYJHZHEOO-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.55
Rot. Bonds5

About 3-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]propanoic acid

3-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]propanoic acid (PubChem CID 119911563) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]propanoic acid
PubChem CID119911563
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]propanoic acid
SMILESCc1cccc2nc(CN(C)CCC(=O)O)cn12
InChIInChI=1S/C13H17N3O2/c1-10-4-3-5-12-14-11(9-16(10)12)8-15(2)7-6-13(17)18/h3-5,9H,6-8H2,1-2H3,(H,17,18)
InChIKeyDUAACTYJHZHEOO-UHFFFAOYSA-N
XLogP1.55
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]propanoic acid (CID 119911563) is 3-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]propanoic acid is Cc1cccc2nc(CN(C)CCC(=O)O)cn12.
What is the InChIKey of 3-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]propanoic acid?
The InChIKey is DUAACTYJHZHEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-10-4-3-5-12-14-11(9-16(10)12)8-15(2)7-6-13(17)18/h3-5,9H,6-8H2,1-2H3,(H,17,18).
What are the key properties of 3-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]propanoic acid?
3-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]propanoic acid has a molecular weight of 247.30 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 119911563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).