2-(1-hydroxy-3-methylcyclopentyl)butanoic acid

C10H18O3 — CID 64515511

IUPAC2-(1-hydroxy-3-methylcyclopentyl)butanoic acid
SMILESCCC(C(=O)O)C1(O)CCC(C)C1
InChIInChI=1S/C10H18O3/c1-3-8(9(11)12)10(13)5-4-7(2)6-10/h7-8,13H,3-6H2,1-2H3,(H,11,12)
InChIKeyURIZBJHXQTTWQO-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.65
Rot. Bonds3

About 2-(1-hydroxy-3-methylcyclopentyl)butanoic acid

2-(1-hydroxy-3-methylcyclopentyl)butanoic acid (PubChem CID 64515511) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(1-hydroxy-3-methylcyclopentyl)butanoic acid.

Molecular Properties

Compound Name2-(1-hydroxy-3-methylcyclopentyl)butanoic acid
PubChem CID64515511
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-(1-hydroxy-3-methylcyclopentyl)butanoic acid
SMILESCCC(C(=O)O)C1(O)CCC(C)C1
InChIInChI=1S/C10H18O3/c1-3-8(9(11)12)10(13)5-4-7(2)6-10/h7-8,13H,3-6H2,1-2H3,(H,11,12)
InChIKeyURIZBJHXQTTWQO-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

2-(3-ethyl-1-hydroxycyclopentyl)butanoic acid
CID 64515512
2-(1-hydroxy-3-methoxycyclobutyl)butanoic acid
CID 106824095
2-(1-hydroxy-4-propan-2-ylcycloheptyl)pentanoic acid
CID 83042358
2-[1-(dimethylcarbamoyl)-4-hydroxypiperidin-4-yl]butanoic acid
CID 83266074
1-hydroxy-3-methylcyclopentane-1-carboxylic acid
CID 43142852
2-(1-hydroxy-4-methylcycloheptyl)propanoic acid
CID 65085394
2-(4-hydroxy-1-propan-2-ylazepan-4-yl)butanoic acid
CID 65076966
2-(3-ethyl-1-hydroxycyclopentyl)-2-fluoroacetic acid
CID 79367180
1-butan-2-yl-4-methylcyclohexane-1-carboxylic acid
CID 79424984
2-(1-hydroxycyclohexyl)butanoic acid;2-(trimethylazaniumyl)acetate
CID 3084405
1-(1-hydroxypentyl)-4-methylcyclohexan-1-ol
CID 103452288
2-(1-hydroxy-2,2-dimethylcyclohexyl)butanoic acid
CID 79852603

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-3-methylcyclopentyl)butanoic acid?
The IUPAC name of 2-(1-hydroxy-3-methylcyclopentyl)butanoic acid (CID 64515511) is 2-(1-hydroxy-3-methylcyclopentyl)butanoic acid.
What is the SMILES notation for 2-(1-hydroxy-3-methylcyclopentyl)butanoic acid?
The canonical SMILES for 2-(1-hydroxy-3-methylcyclopentyl)butanoic acid is CCC(C(=O)O)C1(O)CCC(C)C1.
What is the InChIKey of 2-(1-hydroxy-3-methylcyclopentyl)butanoic acid?
The InChIKey is URIZBJHXQTTWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-8(9(11)12)10(13)5-4-7(2)6-10/h7-8,13H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-(1-hydroxy-3-methylcyclopentyl)butanoic acid?
2-(1-hydroxy-3-methylcyclopentyl)butanoic 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 2-(1-hydroxy-3-methylcyclopentyl)butanoic acid is sourced from PubChem (CID 64515511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).