3-cyclobutyl-3-hydroxy-2,2-dimethylbutanoic acid

C10H18O3 — CID 105442128

IUPAC3-cyclobutyl-3-hydroxy-2,2-dimethylbutanoic acid
SMILESCC(C)(C(=O)O)C(C)(O)C1CCC1
InChIInChI=1S/C10H18O3/c1-9(2,8(11)12)10(3,13)7-5-4-6-7/h7,13H,4-6H2,1-3H3,(H,11,12)
InChIKeyAQVNTMFBTXFPRN-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.65
Rot. Bonds3

About 3-cyclobutyl-3-hydroxy-2,2-dimethylbutanoic acid

3-cyclobutyl-3-hydroxy-2,2-dimethylbutanoic acid (PubChem CID 105442128) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-cyclobutyl-3-hydroxy-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name3-cyclobutyl-3-hydroxy-2,2-dimethylbutanoic acid
PubChem CID105442128
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name3-cyclobutyl-3-hydroxy-2,2-dimethylbutanoic acid
SMILESCC(C)(C(=O)O)C(C)(O)C1CCC1
InChIInChI=1S/C10H18O3/c1-9(2,8(11)12)10(3,13)7-5-4-6-7/h7,13H,4-6H2,1-3H3,(H,11,12)
InChIKeyAQVNTMFBTXFPRN-UHFFFAOYSA-N
XLogP1.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-3-hydroxy-2,2-dimethylbutanoic acid
CID 105452917
3-cyclobutyl-3-fluoro-2,2-dimethylbutanoic acid
CID 105443208
2,3-dicyclohexylbutane-2,3-diol
CID 50741678
2-cyclobutyl-1,1,1-trifluoropropan-2-ol
CID 130685158
2-cyclobutyl-2-hydroxy-3-methylbutanoic acid
CID 81251876
3-amino-2-cyclobutyl-2-methylpropanoic acid
CID 106487162
3,3-dicyclohexyl-2,2-dimethyl-4-methylidenepentanedioic acid
CID 54561732
2-cyclobutyl-2-hydroxypentanoic acid
CID 83051264
(2S)-2-amino-2-cyclopentylpropanoic acid;hydrochloride
CID 66824792
3-amino-2-cyclopentyl-3-methylbutan-2-ol
CID 105434950
2-(3-fluorocyclohexyl)-2-methylpropanoic acid
CID 84732891
2-cyclopentyl-2-methoxypropanoic acid
CID 83827283

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-3-hydroxy-2,2-dimethylbutanoic acid?
The IUPAC name of 3-cyclobutyl-3-hydroxy-2,2-dimethylbutanoic acid (CID 105442128) is 3-cyclobutyl-3-hydroxy-2,2-dimethylbutanoic acid.
What is the SMILES notation for 3-cyclobutyl-3-hydroxy-2,2-dimethylbutanoic acid?
The canonical SMILES for 3-cyclobutyl-3-hydroxy-2,2-dimethylbutanoic acid is CC(C)(C(=O)O)C(C)(O)C1CCC1.
What is the InChIKey of 3-cyclobutyl-3-hydroxy-2,2-dimethylbutanoic acid?
The InChIKey is AQVNTMFBTXFPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-9(2,8(11)12)10(3,13)7-5-4-6-7/h7,13H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 3-cyclobutyl-3-hydroxy-2,2-dimethylbutanoic acid?
3-cyclobutyl-3-hydroxy-2,2-dimethylbutanoic acid has a molecular weight of 186.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-3-hydroxy-2,2-dimethylbutanoic acid is sourced from PubChem (CID 105442128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).