3-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)propanoic acid

C11H16N2O2 — CID 83883894

IUPAC3-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)propanoic acid
SMILESCc1ncc2n1CCC(CCC(=O)O)C2
InChIInChI=1S/C11H16N2O2/c1-8-12-7-10-6-9(2-3-11(14)15)4-5-13(8)10/h7,9H,2-6H2,1H3,(H,14,15)
InChIKeyGMBGVJPIXJJVQI-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.62
Rot. Bonds3

About 3-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)propanoic acid

3-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)propanoic acid (PubChem CID 83883894) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)propanoic acid
PubChem CID83883894
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)propanoic acid
SMILESCc1ncc2n1CCC(CCC(=O)O)C2
InChIInChI=1S/C11H16N2O2/c1-8-12-7-10-6-9(2-3-11(14)15)4-5-13(8)10/h7,9H,2-6H2,1H3,(H,14,15)
InChIKeyGMBGVJPIXJJVQI-UHFFFAOYSA-N
XLogP1.62
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)ethanamine
CID 83865240
3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 83636150
3-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]propanoic acid
CID 81320286
(7S)-N-[(1-hydroxycyclobutyl)methyl]-N,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 164637009
3-[1-(5-acetyl-4-methylpyrimidin-2-yl)piperidin-4-yl]propanoic acid
CID 137335528
3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid
CID 62218201
3-(1-pyrimidin-2-ylpiperidin-4-yl)propanoic acid
CID 62216311
3-[1-[(3,5-dimethylphenyl)methyl]piperidin-4-yl]propanoic acid
CID 62216017
3-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propanoic acid
CID 62215670
3-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]propanoic acid
CID 62959980
3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]propanoic acid
CID 62062092
3-methyl-7-pyrrolidin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 112713363

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)propanoic acid?
The IUPAC name of 3-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)propanoic acid (CID 83883894) is 3-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)propanoic acid.
What is the SMILES notation for 3-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)propanoic acid?
The canonical SMILES for 3-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)propanoic acid is Cc1ncc2n1CCC(CCC(=O)O)C2.
What is the InChIKey of 3-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)propanoic acid?
The InChIKey is GMBGVJPIXJJVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-12-7-10-6-9(2-3-11(14)15)4-5-13(8)10/h7,9H,2-6H2,1H3,(H,14,15).
What are the key properties of 3-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)propanoic acid?
3-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)propanoic acid has a molecular weight of 208.26 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)propanoic acid is sourced from PubChem (CID 83883894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).