5-imidazol-1-yl-2,2-dimethylpentanoic acid

C10H16N2O2 — CID 65255102

IUPAC5-imidazol-1-yl-2,2-dimethylpentanoic acid
SMILESCC(C)(CCCn1ccnc1)C(=O)O
InChIInChI=1S/C10H16N2O2/c1-10(2,9(13)14)4-3-6-12-7-5-11-8-12/h5,7-8H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyRNHAKJPVHWKTAQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.77
Rot. Bonds5

About 5-imidazol-1-yl-2,2-dimethylpentanoic acid

5-imidazol-1-yl-2,2-dimethylpentanoic acid (PubChem CID 65255102) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-imidazol-1-yl-2,2-dimethylpentanoic acid.

Molecular Properties

Compound Name5-imidazol-1-yl-2,2-dimethylpentanoic acid
PubChem CID65255102
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name5-imidazol-1-yl-2,2-dimethylpentanoic acid
SMILESCC(C)(CCCn1ccnc1)C(=O)O
InChIInChI=1S/C10H16N2O2/c1-10(2,9(13)14)4-3-6-12-7-5-11-8-12/h5,7-8H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyRNHAKJPVHWKTAQ-UHFFFAOYSA-N
XLogP1.77
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Imidazole-1-octanoic acid
CID 125737
5-(1H-Imidazol-1-yl)pentanoic acid hydrochloride
CID 45259324
(2S)-2-amino-5-(2-aminoimidazol-1-yl)pentanoic Acid
CID 10241837
5-(1H-imidazol-1-yl)pentanoic acid
CID 12803313
8-Imidazol-1-yl-2-methyloctanoic acid;hydrochloride
CID 12870427
1-(6-Imidazol-1-ylhexyl)cyclohexane-1-carboxylic acid;hydrochloride
CID 12870429
8-Imidazol-1-yl-2,2-dimethyloctanoic acid;hydrochloride
CID 12870455
8-Imidazol-1-yl-2,2-dimethyloct-6-ynoic acid;hydrochloride
CID 12870469
8-Imidazol-1-yl-8-methylnonanoic acid;hydrochloride
CID 12870496
8-Imidazol-1-yl-4,4-dimethyloctanoic acid;hydrochloride
CID 12870498
7-Imidazol-1-ylheptanoic acid;hydrochloride
CID 12870526
10-(1H-imidazol-1-yl)decanoic acid
CID 12803316

Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-2,2-dimethylpentanoic acid?
The IUPAC name of 5-imidazol-1-yl-2,2-dimethylpentanoic acid (CID 65255102) is 5-imidazol-1-yl-2,2-dimethylpentanoic acid.
What is the SMILES notation for 5-imidazol-1-yl-2,2-dimethylpentanoic acid?
The canonical SMILES for 5-imidazol-1-yl-2,2-dimethylpentanoic acid is CC(C)(CCCn1ccnc1)C(=O)O.
What is the InChIKey of 5-imidazol-1-yl-2,2-dimethylpentanoic acid?
The InChIKey is RNHAKJPVHWKTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-10(2,9(13)14)4-3-6-12-7-5-11-8-12/h5,7-8H,3-4,6H2,1-2H3,(H,13,14).
What are the key properties of 5-imidazol-1-yl-2,2-dimethylpentanoic acid?
5-imidazol-1-yl-2,2-dimethylpentanoic acid has a molecular weight of 196.25 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-2,2-dimethylpentanoic acid is sourced from PubChem (CID 65255102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).