2-[2-(2,2-dimethylpropyl)imidazol-1-yl]propanoic acid

C11H18N2O2 — CID 59352048

IUPAC2-[2-(2,2-dimethylpropyl)imidazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1ccnc1CC(C)(C)C
InChIInChI=1S/C11H18N2O2/c1-8(10(14)15)13-6-5-12-9(13)7-11(2,3)4/h5-6,8H,7H2,1-4H3,(H,14,15)
InChIKeyJYEUTLQIWAMOOB-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.12
Rot. Bonds3

About 2-[2-(2,2-dimethylpropyl)imidazol-1-yl]propanoic acid

2-[2-(2,2-dimethylpropyl)imidazol-1-yl]propanoic acid (PubChem CID 59352048) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[2-(2,2-dimethylpropyl)imidazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[2-(2,2-dimethylpropyl)imidazol-1-yl]propanoic acid
PubChem CID59352048
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-[2-(2,2-dimethylpropyl)imidazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1ccnc1CC(C)(C)C
InChIInChI=1S/C11H18N2O2/c1-8(10(14)15)13-6-5-12-9(13)7-11(2,3)4/h5-6,8H,7H2,1-4H3,(H,14,15)
InChIKeyJYEUTLQIWAMOOB-UHFFFAOYSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-dimethylpropyl)imidazol-1-yl]propanoic acid?
The IUPAC name of 2-[2-(2,2-dimethylpropyl)imidazol-1-yl]propanoic acid (CID 59352048) is 2-[2-(2,2-dimethylpropyl)imidazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[2-(2,2-dimethylpropyl)imidazol-1-yl]propanoic acid?
The canonical SMILES for 2-[2-(2,2-dimethylpropyl)imidazol-1-yl]propanoic acid is CC(C(=O)O)n1ccnc1CC(C)(C)C.
What is the InChIKey of 2-[2-(2,2-dimethylpropyl)imidazol-1-yl]propanoic acid?
The InChIKey is JYEUTLQIWAMOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(10(14)15)13-6-5-12-9(13)7-11(2,3)4/h5-6,8H,7H2,1-4H3,(H,14,15).
What are the key properties of 2-[2-(2,2-dimethylpropyl)imidazol-1-yl]propanoic acid?
2-[2-(2,2-dimethylpropyl)imidazol-1-yl]propanoic acid has a molecular weight of 210.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-dimethylpropyl)imidazol-1-yl]propanoic acid is sourced from PubChem (CID 59352048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).