5-imidazol-2-ylium-2-yl-2,2-dimethylpentanoic acid

C10H15N2O2+ — CID 90874024

IUPAC5-imidazol-2-ylium-2-yl-2,2-dimethylpentanoic acid
SMILESCC(C)(CCC[C+]1N=CC=N1)C(=O)O
InChIInChI=1S/C10H14N2O2/c1-10(2,9(13)14)5-3-4-8-11-6-7-12-8/h6-7H,3-5H2,1-2H3/p+1
InChIKeyXQENJQOFPVFLAE-UHFFFAOYSA-O
MW195.24 g/mol
LogP1.91
Rot. Bonds5

About 5-imidazol-2-ylium-2-yl-2,2-dimethylpentanoic acid

5-imidazol-2-ylium-2-yl-2,2-dimethylpentanoic acid (PubChem CID 90874024) has the molecular formula C10H15N2O2+ and a molecular weight of 195.24 g/mol. Its IUPAC name is 5-imidazol-2-ylium-2-yl-2,2-dimethylpentanoic acid.

Molecular Properties

Compound Name5-imidazol-2-ylium-2-yl-2,2-dimethylpentanoic acid
PubChem CID90874024
Molecular FormulaC10H15N2O2+
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name5-imidazol-2-ylium-2-yl-2,2-dimethylpentanoic acid
SMILESCC(C)(CCC[C+]1N=CC=N1)C(=O)O
InChIInChI=1S/C10H14N2O2/c1-10(2,9(13)14)5-3-4-8-11-6-7-12-8/h6-7H,3-5H2,1-2H3/p+1
InChIKeyXQENJQOFPVFLAE-UHFFFAOYSA-O
XLogP1.91
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

5-Imidazol-2-ylium-2-ylpentanoic acid
CID 90755547
3-(3,4-dihydro-2H-pyrrol-4-yl)-2-methylpropanoic acid
CID 91307768
6-Imidazol-2-ylium-2-yl-2,2-dimethylhexanoic acid
CID 91433500
3-(4-ethyl-3,5-dihydro-2H-pyridin-4-yl)propanoic acid
CID 155742151

Frequently Asked Questions

What is the IUPAC name of 5-imidazol-2-ylium-2-yl-2,2-dimethylpentanoic acid?
The IUPAC name of 5-imidazol-2-ylium-2-yl-2,2-dimethylpentanoic acid (CID 90874024) is 5-imidazol-2-ylium-2-yl-2,2-dimethylpentanoic acid.
What is the SMILES notation for 5-imidazol-2-ylium-2-yl-2,2-dimethylpentanoic acid?
The canonical SMILES for 5-imidazol-2-ylium-2-yl-2,2-dimethylpentanoic acid is CC(C)(CCC[C+]1N=CC=N1)C(=O)O.
What is the InChIKey of 5-imidazol-2-ylium-2-yl-2,2-dimethylpentanoic acid?
The InChIKey is XQENJQOFPVFLAE-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H14N2O2/c1-10(2,9(13)14)5-3-4-8-11-6-7-12-8/h6-7H,3-5H2,1-2H3/p+1.
What are the key properties of 5-imidazol-2-ylium-2-yl-2,2-dimethylpentanoic acid?
5-imidazol-2-ylium-2-yl-2,2-dimethylpentanoic acid has a molecular weight of 195.24 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-2-ylium-2-yl-2,2-dimethylpentanoic acid is sourced from PubChem (CID 90874024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).