1-hydroxy-3-methylcyclopentane-1-carboxylic acid

C7H12O3 — CID 43142852

IUPAC1-hydroxy-3-methylcyclopentane-1-carboxylic acid
SMILESCC1CCC(O)(C(=O)O)C1
InChIInChI=1S/C7H12O3/c1-5-2-3-7(10,4-5)6(8)9/h5,10H,2-4H2,1H3,(H,8,9)
InChIKeyNXWMIGTZFKNLIT-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.62
Rot. Bonds1

About 1-hydroxy-3-methylcyclopentane-1-carboxylic acid

1-hydroxy-3-methylcyclopentane-1-carboxylic acid (PubChem CID 43142852) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 1-hydroxy-3-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-3-methylcyclopentane-1-carboxylic acid
PubChem CID43142852
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name1-hydroxy-3-methylcyclopentane-1-carboxylic acid
SMILESCC1CCC(O)(C(=O)O)C1
InChIInChI=1S/C7H12O3/c1-5-2-3-7(10,4-5)6(8)9/h5,10H,2-4H2,1H3,(H,8,9)
InChIKeyNXWMIGTZFKNLIT-UHFFFAOYSA-N
XLogP0.62
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 54078464
4-tert-butyl-1-hydroxycycloheptane-1-carboxylic acid
CID 65095145
1-bromo-4-methylcyclohexane-1-carboxylic acid
CID 139659784
4-amino-1-hydroxycyclohexane-1-carboxylic acid;hydrochloride
CID 66728658
1,3-dimethylcyclohexane-1-carboxylic acid;gallane
CID 173230455
4-methyl-1-propan-2-ylcyclohexane-1-carboxylic acid
CID 79425643
1-iodo-3-methylcyclopentan-1-ol
CID 142079535
2-(1-hydroxy-3-methylcyclopentyl)butanoic acid
CID 64515511
1-(2-hydroxypropyl)-3-methylcyclopentane-1-carboxylic acid
CID 79429056
1-butan-2-yl-4-methylcyclohexane-1-carboxylic acid
CID 79424984
2-cyclopentyl-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450673
3-ethyl-1-hydroxycyclobutane-1-carboxylic acid
CID 90717755

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-hydroxy-3-methylcyclopentane-1-carboxylic acid (CID 43142852) is 1-hydroxy-3-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-hydroxy-3-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-hydroxy-3-methylcyclopentane-1-carboxylic acid is CC1CCC(O)(C(=O)O)C1.
What is the InChIKey of 1-hydroxy-3-methylcyclopentane-1-carboxylic acid?
The InChIKey is NXWMIGTZFKNLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-5-2-3-7(10,4-5)6(8)9/h5,10H,2-4H2,1H3,(H,8,9).
What are the key properties of 1-hydroxy-3-methylcyclopentane-1-carboxylic acid?
1-hydroxy-3-methylcyclopentane-1-carboxylic acid has a molecular weight of 144.17 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 43142852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).