3-cyclopentyl-3-hydroxy-2,2-dimethylbutanoic acid

C11H20O3 — CID 105452917

IUPAC3-cyclopentyl-3-hydroxy-2,2-dimethylbutanoic acid
SMILESCC(C)(C(=O)O)C(C)(O)C1CCCC1
InChIInChI=1S/C11H20O3/c1-10(2,9(12)13)11(3,14)8-6-4-5-7-8/h8,14H,4-7H2,1-3H3,(H,12,13)
InChIKeyGAZHFADRQTUGNJ-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.04
Rot. Bonds3

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

3-cyclopentyl-3-hydroxy-2,2-dimethylbutanoic acid (PubChem CID 105452917) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-cyclopentyl-3-hydroxy-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name3-cyclopentyl-3-hydroxy-2,2-dimethylbutanoic acid
PubChem CID105452917
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name3-cyclopentyl-3-hydroxy-2,2-dimethylbutanoic acid
SMILESCC(C)(C(=O)O)C(C)(O)C1CCCC1
InChIInChI=1S/C11H20O3/c1-10(2,9(12)13)11(3,14)8-6-4-5-7-8/h8,14H,4-7H2,1-3H3,(H,12,13)
InChIKeyGAZHFADRQTUGNJ-UHFFFAOYSA-N
XLogP2.04
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclobutyl-3-hydroxy-2,2-dimethylbutanoic acid
CID 105442128
2,3-dicyclohexylbutane-2,3-diol
CID 50741678
3-cyclobutyl-3-fluoro-2,2-dimethylbutanoic acid
CID 105443208
3,3-dicyclohexyl-2,2-dimethyl-4-methylidenepentanedioic acid
CID 54561732
3-amino-2-cyclopentyl-3-methylbutan-2-ol
CID 105434950
(2S)-2-amino-2-cyclopentylpropanoic acid;hydrochloride
CID 66824792
acetic acid;tert-butylcyclohexane
CID 69013500
2-cyclopentyl-2-methoxypropanoic acid
CID 83827283
2-cyclooctyl-2-hydroxy-3-methylbutanoic acid
CID 79303151
2-amino-2-methylpropanoic acid;tert-butylcyclohexane;ethane
CID 162724890
2,3-ditert-butyl-2-cyclohexylbutanedioic acid
CID 175057284
2-cyclooctylpropan-2-ol
CID 27966

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-3-hydroxy-2,2-dimethylbutanoic acid?
The IUPAC name of 3-cyclopentyl-3-hydroxy-2,2-dimethylbutanoic acid (CID 105452917) is 3-cyclopentyl-3-hydroxy-2,2-dimethylbutanoic acid.
What is the SMILES notation for 3-cyclopentyl-3-hydroxy-2,2-dimethylbutanoic acid?
The canonical SMILES for 3-cyclopentyl-3-hydroxy-2,2-dimethylbutanoic acid is CC(C)(C(=O)O)C(C)(O)C1CCCC1.
What is the InChIKey of 3-cyclopentyl-3-hydroxy-2,2-dimethylbutanoic acid?
The InChIKey is GAZHFADRQTUGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-10(2,9(12)13)11(3,14)8-6-4-5-7-8/h8,14H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 3-cyclopentyl-3-hydroxy-2,2-dimethylbutanoic acid?
3-cyclopentyl-3-hydroxy-2,2-dimethylbutanoic acid has a molecular weight of 200.28 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-3-hydroxy-2,2-dimethylbutanoic acid is sourced from PubChem (CID 105452917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).