2-cyclobutyl-2-hydroxy-3-methylbutanoic acid

C9H16O3 — CID 81251876

IUPAC2-cyclobutyl-2-hydroxy-3-methylbutanoic acid
SMILESCC(C)C(O)(C(=O)O)C1CCC1
InChIInChI=1S/C9H16O3/c1-6(2)9(12,8(10)11)7-4-3-5-7/h6-7,12H,3-5H2,1-2H3,(H,10,11)
InChIKeyXXPFWBSIGMBYBO-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.26
Rot. Bonds3

About 2-cyclobutyl-2-hydroxy-3-methylbutanoic acid

2-cyclobutyl-2-hydroxy-3-methylbutanoic acid (PubChem CID 81251876) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-cyclobutyl-2-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name2-cyclobutyl-2-hydroxy-3-methylbutanoic acid
PubChem CID81251876
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-cyclobutyl-2-hydroxy-3-methylbutanoic acid
SMILESCC(C)C(O)(C(=O)O)C1CCC1
InChIInChI=1S/C9H16O3/c1-6(2)9(12,8(10)11)7-4-3-5-7/h6-7,12H,3-5H2,1-2H3,(H,10,11)
InChIKeyXXPFWBSIGMBYBO-UHFFFAOYSA-N
XLogP1.26
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclooctyl-2-hydroxy-3-methylbutanoic acid
CID 79303151
2-(3-ethoxycyclobutyl)-2-hydroxy-3-methylbutanoic acid
CID 106824703
methyl 2-hydroxy-3-methyl-2-(4-propylcycloheptyl)butanoate
CID 79299214
3-cyclobutyl-3-hydroxy-2,2-dimethylbutanoic acid
CID 105442128
3-cyclopentyl-2,4-dimethylpentan-3-ol
CID 130529014
2-cyclobutyl-2-hydroxypentanoic acid
CID 83051264
3-cyclopentyl-3-hydroxy-2,2-dimethylbutanoic acid
CID 105452917
2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoic acid
CID 23202697
2-amino-2-cyclobutyl-3,3-difluoropropanoic acid
CID 105437833
3-cyclobutyl-3-fluoro-2,2-dimethylbutanoic acid
CID 105443208
2-cyclobutyl-2-hydroxy-3-methylperoxy-3-oxopropanoic acid
CID 91562101
3-cyclohexyl-2,3-dimethylbutanoic acid
CID 83699558

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-2-hydroxy-3-methylbutanoic acid?
The IUPAC name of 2-cyclobutyl-2-hydroxy-3-methylbutanoic acid (CID 81251876) is 2-cyclobutyl-2-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 2-cyclobutyl-2-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 2-cyclobutyl-2-hydroxy-3-methylbutanoic acid is CC(C)C(O)(C(=O)O)C1CCC1.
What is the InChIKey of 2-cyclobutyl-2-hydroxy-3-methylbutanoic acid?
The InChIKey is XXPFWBSIGMBYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-6(2)9(12,8(10)11)7-4-3-5-7/h6-7,12H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-cyclobutyl-2-hydroxy-3-methylbutanoic acid?
2-cyclobutyl-2-hydroxy-3-methylbutanoic acid has a molecular weight of 172.22 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-2-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 81251876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).