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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Related Compounds

2-(2-prop-2-enylimidazol-1-yl)propanoic acid
CID 87879046
2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]propanoic acid
CID 62221450
(2R)-2-(2-cyanoimidazol-1-yl)propanoic acid
CID 107427763
2-(2-nitroimidazol-1-yl)propanoic acid
CID 68807974
(2R)-2-(2-oxopyrimidin-1-yl)propanoic acid
CID 124508593
2-[2-(3-phenylpropyl)imidazol-1-yl]propanamide
CID 82558306
4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64703484
methyl 2-[2-[(3-aminophenyl)methyl]imidazol-1-yl]propanoate
CID 82558682
2-(ethylamino)-3-(2-ethylimidazol-1-yl)butanoic acid
CID 165495562
2-(2-ethylimidazol-1-yl)-N-pentan-2-ylpropanamide
CID 63810997
2-(3-methyl-4-oxopentyl)imidazole-1-carboxylic acid
CID 67834987
(1-butan-2-ylimidazol-2-yl)methanol
CID 45088406

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).