3-(5-ethyl-1H-imidazol-2-yl)-2-methylpropanoic acid

C9H14N2O2 — CID 116878868

IUPAC3-(5-ethyl-1H-imidazol-2-yl)-2-methylpropanoic acid
SMILESCCc1cnc(CC(C)C(=O)O)[nH]1
InChIInChI=1S/C9H14N2O2/c1-3-7-5-10-8(11-7)4-6(2)9(12)13/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyUXKFITFROCXWOI-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.24
Rot. Bonds4

About 3-(5-ethyl-1H-imidazol-2-yl)-2-methylpropanoic acid

3-(5-ethyl-1H-imidazol-2-yl)-2-methylpropanoic acid (PubChem CID 116878868) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-(5-ethyl-1H-imidazol-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(5-ethyl-1H-imidazol-2-yl)-2-methylpropanoic acid
PubChem CID116878868
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-(5-ethyl-1H-imidazol-2-yl)-2-methylpropanoic acid
SMILESCCc1cnc(CC(C)C(=O)O)[nH]1
InChIInChI=1S/C9H14N2O2/c1-3-7-5-10-8(11-7)4-6(2)9(12)13/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyUXKFITFROCXWOI-UHFFFAOYSA-N
XLogP1.24
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-2-(2-methylpropyl)-1H-imidazole
CID 70669339
(5-ethyl-1H-imidazol-2-yl)methanamine
CID 82235615
3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878882
2-(5-ethyl-1H-imidazol-2-yl)-1-phenylethanamine
CID 82239450
3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878905
2-(2,3-dimethylpentyl)-5-(2-methylpropyl)-1H-imidazole
CID 126657488
3-(5-ethyl-2H-triazol-4-yl)-2-methylpropanoic acid
CID 84768983
4-[5-(2-methylpropyl)-1H-imidazol-2-yl]butan-2-one
CID 116880866
2-propyl-1H-imidazole-5-carboxylic acid
CID 10511057
acetic acid;2,5-dihexyl-1H-imidazole
CID 175376233
3-(5-methoxypyrazin-2-yl)-2-methylpropanoic acid
CID 83831149
2-amino-3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 116881749

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1H-imidazol-2-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(5-ethyl-1H-imidazol-2-yl)-2-methylpropanoic acid (CID 116878868) is 3-(5-ethyl-1H-imidazol-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(5-ethyl-1H-imidazol-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(5-ethyl-1H-imidazol-2-yl)-2-methylpropanoic acid is CCc1cnc(CC(C)C(=O)O)[nH]1.
What is the InChIKey of 3-(5-ethyl-1H-imidazol-2-yl)-2-methylpropanoic acid?
The InChIKey is UXKFITFROCXWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-7-5-10-8(11-7)4-6(2)9(12)13/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 3-(5-ethyl-1H-imidazol-2-yl)-2-methylpropanoic acid?
3-(5-ethyl-1H-imidazol-2-yl)-2-methylpropanoic acid has a molecular weight of 182.22 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1H-imidazol-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 116878868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).