4-cyclopentyl-4-hydroxy-2,3-dimethylbutanoic acid

C11H20O3 — CID 79413893

IUPAC4-cyclopentyl-4-hydroxy-2,3-dimethylbutanoic acid
SMILESCC(C(=O)O)C(C)C(O)C1CCCC1
InChIInChI=1S/C11H20O3/c1-7(8(2)11(13)14)10(12)9-5-3-4-6-9/h7-10,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyWLRUHDSIHNYOIT-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.89
Rot. Bonds4

About 4-cyclopentyl-4-hydroxy-2,3-dimethylbutanoic acid

4-cyclopentyl-4-hydroxy-2,3-dimethylbutanoic acid (PubChem CID 79413893) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-cyclopentyl-4-hydroxy-2,3-dimethylbutanoic acid.

Molecular Properties

Compound Name4-cyclopentyl-4-hydroxy-2,3-dimethylbutanoic acid
PubChem CID79413893
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name4-cyclopentyl-4-hydroxy-2,3-dimethylbutanoic acid
SMILESCC(C(=O)O)C(C)C(O)C1CCCC1
InChIInChI=1S/C11H20O3/c1-7(8(2)11(13)14)10(12)9-5-3-4-6-9/h7-10,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyWLRUHDSIHNYOIT-UHFFFAOYSA-N
XLogP1.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopropyl-4-hydroxy-2,3-dimethylbutanoic acid
CID 79414579
2-cyclopentyl-4-hydroxy-3-methylpentanoic acid
CID 112569249
(2R,3S)-2-cyclohexyl-3-hydroxybutanoic acid
CID 14660744
1-cyclobutyl-2,3-dimethylbutan-1-ol
CID 115837893
(4S)-4-hydroxy-2,3-dimethylpentanoic acid
CID 146599798
(2R)-2-cycloheptyl-2-hydroxyacetic acid
CID 158640375
(2R,3R)-3-cyclohexyl-3-hydroxy-N,N,2-trimethylpropanamide
CID 14930114
(2S)-2-[(S)-cyclohexyl(hydroxy)methyl]butanoic acid
CID 94426880
(2S)-2-cyclohexyl-3-methylbutanoic acid
CID 69470858
2-cyclopentyl-3-methylbutanedioic acid;N-ethylethanamine
CID 174671046
2,3-dicyclopentylbutanedioic acid
CID 141323160
1-cycloheptylpropane-1,2-diol
CID 103452573

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-4-hydroxy-2,3-dimethylbutanoic acid?
The IUPAC name of 4-cyclopentyl-4-hydroxy-2,3-dimethylbutanoic acid (CID 79413893) is 4-cyclopentyl-4-hydroxy-2,3-dimethylbutanoic acid.
What is the SMILES notation for 4-cyclopentyl-4-hydroxy-2,3-dimethylbutanoic acid?
The canonical SMILES for 4-cyclopentyl-4-hydroxy-2,3-dimethylbutanoic acid is CC(C(=O)O)C(C)C(O)C1CCCC1.
What is the InChIKey of 4-cyclopentyl-4-hydroxy-2,3-dimethylbutanoic acid?
The InChIKey is WLRUHDSIHNYOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-7(8(2)11(13)14)10(12)9-5-3-4-6-9/h7-10,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 4-cyclopentyl-4-hydroxy-2,3-dimethylbutanoic acid?
4-cyclopentyl-4-hydroxy-2,3-dimethylbutanoic acid has a molecular weight of 200.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-4-hydroxy-2,3-dimethylbutanoic acid is sourced from PubChem (CID 79413893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).