3-cyclopentyl-4-hydroxy-3-methylbutanoic acid

C10H18O3 — CID 105442131

IUPAC3-cyclopentyl-4-hydroxy-3-methylbutanoic acid
SMILESCC(CO)(CC(=O)O)C1CCCC1
InChIInChI=1S/C10H18O3/c1-10(7-11,6-9(12)13)8-4-2-3-5-8/h8,11H,2-7H2,1H3,(H,12,13)
InChIKeyAGCUFLONJXDFTI-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.65
Rot. Bonds4

About 3-cyclopentyl-4-hydroxy-3-methylbutanoic acid

3-cyclopentyl-4-hydroxy-3-methylbutanoic acid (PubChem CID 105442131) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-cyclopentyl-4-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name3-cyclopentyl-4-hydroxy-3-methylbutanoic acid
PubChem CID105442131
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name3-cyclopentyl-4-hydroxy-3-methylbutanoic acid
SMILESCC(CO)(CC(=O)O)C1CCCC1
InChIInChI=1S/C10H18O3/c1-10(7-11,6-9(12)13)8-4-2-3-5-8/h8,11H,2-7H2,1H3,(H,12,13)
InChIKeyAGCUFLONJXDFTI-UHFFFAOYSA-N
XLogP1.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

methyl 3-cyclopentyl-4-hydroxy-3-methylbutanoate
CID 105452919
3-amino-3-cyclopentylbutanoic acid
CID 55295139
(3R)-3-amino-3-cyclopentylbutanoic acid
CID 55294909
3-cycloheptyl-3-methoxybutanoic acid
CID 105467922
(2-cyclopentyl-3-hydroxy-2-methylpropyl) 2-methylbut-2-enoate
CID 57193202
(3-carbamoyloxy-2-cyclopentyl-2-methylpropyl) carbamate
CID 14363
3-amino-3-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 123134609
(3R)-3-amino-3-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 175307569
3-cyclohexyl-3-(dimethylamino)butanoic acid
CID 64527768
2-cyclopentyl-2-hydroxybutanedioic acid
CID 165483001
2-cyclohexyl-2-methylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol
CID 22666726
2-cyclopentyl-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 103973903

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-4-hydroxy-3-methylbutanoic acid?
The IUPAC name of 3-cyclopentyl-4-hydroxy-3-methylbutanoic acid (CID 105442131) is 3-cyclopentyl-4-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 3-cyclopentyl-4-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 3-cyclopentyl-4-hydroxy-3-methylbutanoic acid is CC(CO)(CC(=O)O)C1CCCC1.
What is the InChIKey of 3-cyclopentyl-4-hydroxy-3-methylbutanoic acid?
The InChIKey is AGCUFLONJXDFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-10(7-11,6-9(12)13)8-4-2-3-5-8/h8,11H,2-7H2,1H3,(H,12,13).
What are the key properties of 3-cyclopentyl-4-hydroxy-3-methylbutanoic acid?
3-cyclopentyl-4-hydroxy-3-methylbutanoic acid has a molecular weight of 186.25 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-4-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 105442131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).