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

C7H10N2O2 — CID 10034820

IUPAC2-(1H-imidazol-5-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cnc[nH]1
InChIInChI=1S/C7H10N2O2/c1-7(2,6(10)11)5-3-8-4-9-5/h3-4H,1-2H3,(H,8,9)(H,10,11)
InChIKeyLORNKCPCLAVENK-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.77
Rot. Bonds2

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

2-(1H-imidazol-5-yl)-2-methylpropanoic acid (PubChem CID 10034820) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-2-methylpropanoic acid
PubChem CID10034820
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-(1H-imidazol-5-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cnc[nH]1
InChIInChI=1S/C7H10N2O2/c1-7(2,6(10)11)5-3-8-4-9-5/h3-4H,1-2H3,(H,8,9)(H,10,11)
InChIKeyLORNKCPCLAVENK-UHFFFAOYSA-N
XLogP0.77
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(1H-imidazol-5-yl)-2-methylpropanoic acid (CID 10034820) is 2-(1H-imidazol-5-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(1H-imidazol-5-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)c1cnc[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-2-methylpropanoic acid?
The InChIKey is LORNKCPCLAVENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-7(2,6(10)11)5-3-8-4-9-5/h3-4H,1-2H3,(H,8,9)(H,10,11).
What are the key properties of 2-(1H-imidazol-5-yl)-2-methylpropanoic acid?
2-(1H-imidazol-5-yl)-2-methylpropanoic acid has a molecular weight of 154.17 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-2-methylpropanoic acid is sourced from PubChem (CID 10034820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).