4-hydroxy-2-methyl-4-(3-propan-2-ylimidazol-4-yl)butanoic acid

C11H18N2O3 — CID 66130717

IUPAC4-hydroxy-2-methyl-4-(3-propan-2-ylimidazol-4-yl)butanoic acid
SMILESCC(CC(O)c1cncn1C(C)C)C(=O)O
InChIInChI=1S/C11H18N2O3/c1-7(2)13-6-12-5-9(13)10(14)4-8(3)11(15)16/h5-8,10,14H,4H2,1-3H3,(H,15,16)
InChIKeyIOVMJMYZNFFBJU-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.61
Rot. Bonds5

About 4-hydroxy-2-methyl-4-(3-propan-2-ylimidazol-4-yl)butanoic acid

4-hydroxy-2-methyl-4-(3-propan-2-ylimidazol-4-yl)butanoic acid (PubChem CID 66130717) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-4-(3-propan-2-ylimidazol-4-yl)butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-methyl-4-(3-propan-2-ylimidazol-4-yl)butanoic acid
PubChem CID66130717
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name4-hydroxy-2-methyl-4-(3-propan-2-ylimidazol-4-yl)butanoic acid
SMILESCC(CC(O)c1cncn1C(C)C)C(=O)O
InChIInChI=1S/C11H18N2O3/c1-7(2)13-6-12-5-9(13)10(14)4-8(3)11(15)16/h5-8,10,14H,4H2,1-3H3,(H,15,16)
InChIKeyIOVMJMYZNFFBJU-UHFFFAOYSA-N
XLogP1.61
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66162644
3-ethyl-1-(3-propan-2-ylimidazol-4-yl)heptan-1-ol
CID 66164626
4-hydroxy-3-methyl-4-(3-propan-2-ylimidazol-4-yl)butanoic acid
CID 66130714
1-(3-propan-2-ylimidazol-4-yl)-2-thiophen-3-ylethanol
CID 66162635
3-cyclopropyl-1-(3-propan-2-ylimidazol-4-yl)propan-1-ol
CID 106590501
1-(3-propan-2-ylimidazol-4-yl)-2-propoxyethanol
CID 79566864
2-(3,4-dimethylphenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66164033
2-(3,4-difluorophenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 82920072
3-methyl-1-(3-propan-2-ylimidazol-4-yl)butan-1-amine
CID 114703737
2-(propan-2-ylamino)-2-(3-propan-2-ylimidazol-4-yl)acetamide
CID 66162615
2-(1-pentan-3-ylpyrazol-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66163237
2-[formyl(propyl)amino]-2-(3-propan-2-ylimidazol-4-yl)acetic acid
CID 66162024

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-4-(3-propan-2-ylimidazol-4-yl)butanoic acid?
The IUPAC name of 4-hydroxy-2-methyl-4-(3-propan-2-ylimidazol-4-yl)butanoic acid (CID 66130717) is 4-hydroxy-2-methyl-4-(3-propan-2-ylimidazol-4-yl)butanoic acid.
What is the SMILES notation for 4-hydroxy-2-methyl-4-(3-propan-2-ylimidazol-4-yl)butanoic acid?
The canonical SMILES for 4-hydroxy-2-methyl-4-(3-propan-2-ylimidazol-4-yl)butanoic acid is CC(CC(O)c1cncn1C(C)C)C(=O)O.
What is the InChIKey of 4-hydroxy-2-methyl-4-(3-propan-2-ylimidazol-4-yl)butanoic acid?
The InChIKey is IOVMJMYZNFFBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-7(2)13-6-12-5-9(13)10(14)4-8(3)11(15)16/h5-8,10,14H,4H2,1-3H3,(H,15,16).
What are the key properties of 4-hydroxy-2-methyl-4-(3-propan-2-ylimidazol-4-yl)butanoic acid?
4-hydroxy-2-methyl-4-(3-propan-2-ylimidazol-4-yl)butanoic acid has a molecular weight of 226.28 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-4-(3-propan-2-ylimidazol-4-yl)butanoic acid is sourced from PubChem (CID 66130717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).