2-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid

C11H16N2O2 — CID 83883838

IUPAC2-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid
SMILESCc1nc(C(C)C(=O)O)c2n1CCCC2
InChIInChI=1S/C11H16N2O2/c1-7(11(14)15)10-9-5-3-4-6-13(9)8(2)12-10/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyJXDVVRANTBFNSK-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.72
Rot. Bonds2

About 2-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid

2-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid (PubChem CID 83883838) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid
PubChem CID83883838
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid
SMILESCc1nc(C(C)C(=O)O)c2n1CCCC2
InChIInChI=1S/C11H16N2O2/c1-7(11(14)15)10-9-5-3-4-6-13(9)8(2)12-10/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyJXDVVRANTBFNSK-UHFFFAOYSA-N
XLogP1.72
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-(3-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid
CID 82399811
2-amino-2-(3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)acetic acid
CID 83897617
2-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 116984342
1-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propan-2-amine
CID 83865351
2-[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
CID 62096386
2-[(2R)-butan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 125451701
3-[carboxy(methylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984284
N'-hydroxy-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboximidamide
CID 83878925
2-amino-2-(2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 83842555
2-[(2S)-3-methylbutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 125453760
3-(3-aminobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984193
methyl (3S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-phenylpropanoate
CID 97008528

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid?
The IUPAC name of 2-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid (CID 83883838) is 2-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid.
What is the SMILES notation for 2-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid?
The canonical SMILES for 2-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid is Cc1nc(C(C)C(=O)O)c2n1CCCC2.
What is the InChIKey of 2-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid?
The InChIKey is JXDVVRANTBFNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7(11(14)15)10-9-5-3-4-6-13(9)8(2)12-10/h7H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid?
2-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid has a molecular weight of 208.26 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid is sourced from PubChem (CID 83883838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).