3-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxylic acid

C11H16N2O3 — CID 114529248

IUPAC3-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxylic acid
SMILESCn1ccnc1CCC1(O)CC(C(=O)O)C1
InChIInChI=1S/C11H16N2O3/c1-13-5-4-12-9(13)2-3-11(16)6-8(7-11)10(14)15/h4-5,8,16H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyHXRZDQHZRGSGCS-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.58
Rot. Bonds4

About 3-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxylic acid

3-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxylic acid (PubChem CID 114529248) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxylic acid
PubChem CID114529248
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxylic acid
SMILESCn1ccnc1CCC1(O)CC(C(=O)O)C1
InChIInChI=1S/C11H16N2O3/c1-13-5-4-12-9(13)2-3-11(16)6-8(7-11)10(14)15/h4-5,8,16H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyHXRZDQHZRGSGCS-UHFFFAOYSA-N
XLogP0.58
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-ol
CID 114529236
4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol
CID 114529027
3-amino-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol
CID 114529231
1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 42961844
1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid
CID 114528834
4-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboxylic acid
CID 114528845
1-cyclopropyl-5-(1-methylimidazol-2-yl)pentan-1-one
CID 114532079
4-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid
CID 114532598
2-[2-(1-methylimidazol-2-yl)ethyl]-1,3-dihydroindene-2-carboxylic acid
CID 114532607
4-(1-methylimidazol-2-yl)butanoic acid;hydrobromide
CID 175058190
1-(1-methylcyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529606
1-[2-(1-methylimidazol-2-yl)ethylamino]cyclopropane-1-carboxylic acid
CID 114528769

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxylic acid (CID 114529248) is 3-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxylic acid is Cn1ccnc1CCC1(O)CC(C(=O)O)C1.
What is the InChIKey of 3-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxylic acid?
The InChIKey is HXRZDQHZRGSGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-13-5-4-12-9(13)2-3-11(16)6-8(7-11)10(14)15/h4-5,8,16H,2-3,6-7H2,1H3,(H,14,15).
What are the key properties of 3-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxylic acid?
3-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 114529248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).