2,3-dimethyl-5-(1-methylimidazol-2-yl)pentanoic acid

C11H18N2O2 — CID 114532954

IUPAC2,3-dimethyl-5-(1-methylimidazol-2-yl)pentanoic acid
SMILESCC(CCc1nccn1C)C(C)C(=O)O
InChIInChI=1S/C11H18N2O2/c1-8(9(2)11(14)15)4-5-10-12-6-7-13(10)3/h6-9H,4-5H2,1-3H3,(H,14,15)
InChIKeyWPIXKSSPHHYNHQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.71
Rot. Bonds5

About 2,3-dimethyl-5-(1-methylimidazol-2-yl)pentanoic acid

2,3-dimethyl-5-(1-methylimidazol-2-yl)pentanoic acid (PubChem CID 114532954) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2,3-dimethyl-5-(1-methylimidazol-2-yl)pentanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-5-(1-methylimidazol-2-yl)pentanoic acid
PubChem CID114532954
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2,3-dimethyl-5-(1-methylimidazol-2-yl)pentanoic acid
SMILESCC(CCc1nccn1C)C(C)C(=O)O
InChIInChI=1S/C11H18N2O2/c1-8(9(2)11(14)15)4-5-10-12-6-7-13(10)3/h6-9H,4-5H2,1-3H3,(H,14,15)
InChIKeyWPIXKSSPHHYNHQ-UHFFFAOYSA-N
XLogP1.71
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
2-methoxycarbonyl-4-(1-methylimidazol-2-yl)butanoic acid
CID 114533149
2-methyl-4-(1-methylimidazol-2-yl)-1-phenylbutan-1-one
CID 114528615
4-hydroxy-1-(1-methylimidazol-2-yl)pentan-3-one
CID 103451481
N-ethyl-2,3-dimethyl-5-(1-methylimidazol-2-yl)pentan-1-amine
CID 114532985
2-methyl-3-[2-(1-methylimidazol-2-yl)ethylsulfonyl]propanoic acid
CID 114527980
(2R)-2-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 78977343
4-(1-methylimidazol-2-yl)butanoic acid;hydrobromide
CID 175058190
2-fluoro-4-(1-methylimidazol-2-yl)butan-1-amine
CID 114533122
1-(1-methylimidazol-2-yl)heptane-3,4-diol
CID 103455046
(Z)-but-2-enedioic acid;2-butyl-1-methylimidazole
CID 174928175
2-methoxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 115610745

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(1-methylimidazol-2-yl)pentanoic acid?
The IUPAC name of 2,3-dimethyl-5-(1-methylimidazol-2-yl)pentanoic acid (CID 114532954) is 2,3-dimethyl-5-(1-methylimidazol-2-yl)pentanoic acid.
What is the SMILES notation for 2,3-dimethyl-5-(1-methylimidazol-2-yl)pentanoic acid?
The canonical SMILES for 2,3-dimethyl-5-(1-methylimidazol-2-yl)pentanoic acid is CC(CCc1nccn1C)C(C)C(=O)O.
What is the InChIKey of 2,3-dimethyl-5-(1-methylimidazol-2-yl)pentanoic acid?
The InChIKey is WPIXKSSPHHYNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(9(2)11(14)15)4-5-10-12-6-7-13(10)3/h6-9H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 2,3-dimethyl-5-(1-methylimidazol-2-yl)pentanoic acid?
2,3-dimethyl-5-(1-methylimidazol-2-yl)pentanoic acid has a molecular weight of 210.28 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(1-methylimidazol-2-yl)pentanoic acid is sourced from PubChem (CID 114532954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).