4-methyl-4-(4-pyridin-3-ylimidazol-1-yl)pentanoic acid

C14H17N3O2 — CID 23511434

IUPAC4-methyl-4-(4-pyridin-3-ylimidazol-1-yl)pentanoic acid
SMILESCC(C)(CCC(=O)O)n1cnc(-c2cccnc2)c1
InChIInChI=1S/C14H17N3O2/c1-14(2,6-5-13(18)19)17-9-12(16-10-17)11-4-3-7-15-8-11/h3-4,7-10H,5-6H2,1-2H3,(H,18,19)
InChIKeyFERDZWQPPOCCIW-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.55
Rot. Bonds5

About 4-methyl-4-(4-pyridin-3-ylimidazol-1-yl)pentanoic acid

4-methyl-4-(4-pyridin-3-ylimidazol-1-yl)pentanoic acid (PubChem CID 23511434) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-methyl-4-(4-pyridin-3-ylimidazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-(4-pyridin-3-ylimidazol-1-yl)pentanoic acid
PubChem CID23511434
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-methyl-4-(4-pyridin-3-ylimidazol-1-yl)pentanoic acid
SMILESCC(C)(CCC(=O)O)n1cnc(-c2cccnc2)c1
InChIInChI=1S/C14H17N3O2/c1-14(2,6-5-13(18)19)17-9-12(16-10-17)11-4-3-7-15-8-11/h3-4,7-10H,5-6H2,1-2H3,(H,18,19)
InChIKeyFERDZWQPPOCCIW-UHFFFAOYSA-N
XLogP2.55
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(4-pyridin-3-ylimidazol-1-yl)pentanoic acid?
The IUPAC name of 4-methyl-4-(4-pyridin-3-ylimidazol-1-yl)pentanoic acid (CID 23511434) is 4-methyl-4-(4-pyridin-3-ylimidazol-1-yl)pentanoic acid.
What is the SMILES notation for 4-methyl-4-(4-pyridin-3-ylimidazol-1-yl)pentanoic acid?
The canonical SMILES for 4-methyl-4-(4-pyridin-3-ylimidazol-1-yl)pentanoic acid is CC(C)(CCC(=O)O)n1cnc(-c2cccnc2)c1.
What is the InChIKey of 4-methyl-4-(4-pyridin-3-ylimidazol-1-yl)pentanoic acid?
The InChIKey is FERDZWQPPOCCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-14(2,6-5-13(18)19)17-9-12(16-10-17)11-4-3-7-15-8-11/h3-4,7-10H,5-6H2,1-2H3,(H,18,19).
What are the key properties of 4-methyl-4-(4-pyridin-3-ylimidazol-1-yl)pentanoic acid?
4-methyl-4-(4-pyridin-3-ylimidazol-1-yl)pentanoic acid has a molecular weight of 259.31 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(4-pyridin-3-ylimidazol-1-yl)pentanoic acid is sourced from PubChem (CID 23511434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).