2-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)butanoic acid

C13H17N3O2 — CID 63268200

IUPAC2-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)butanoic acid
SMILESCCC(CC)(Cc1nc2ccncc2[nH]1)C(=O)O
InChIInChI=1S/C13H17N3O2/c1-3-13(4-2,12(17)18)7-11-15-9-5-6-14-8-10(9)16-11/h5-6,8H,3-4,7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyZYUJKPRGRWDHLV-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.39
Rot. Bonds5

About 2-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)butanoic acid

2-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)butanoic acid (PubChem CID 63268200) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)butanoic acid
PubChem CID63268200
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)butanoic acid
SMILESCCC(CC)(Cc1nc2ccncc2[nH]1)C(=O)O
InChIInChI=1S/C13H17N3O2/c1-3-13(4-2,12(17)18)7-11-15-9-5-6-14-8-10(9)16-11/h5-6,8H,3-4,7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyZYUJKPRGRWDHLV-UHFFFAOYSA-N
XLogP2.39
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)butanoic acid?
The IUPAC name of 2-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)butanoic acid (CID 63268200) is 2-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)butanoic acid.
What is the SMILES notation for 2-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)butanoic acid?
The canonical SMILES for 2-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)butanoic acid is CCC(CC)(Cc1nc2ccncc2[nH]1)C(=O)O.
What is the InChIKey of 2-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)butanoic acid?
The InChIKey is ZYUJKPRGRWDHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-13(4-2,12(17)18)7-11-15-9-5-6-14-8-10(9)16-11/h5-6,8H,3-4,7H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)butanoic acid?
2-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)butanoic acid has a molecular weight of 247.30 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)butanoic acid is sourced from PubChem (CID 63268200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).