2-hydroxy-1-methylcyclopentane-1-carboxylic acid

C7H12O3 — CID 14382720

IUPAC2-hydroxy-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1O
InChIInChI=1S/C7H12O3/c1-7(6(9)10)4-2-3-5(7)8/h5,8H,2-4H2,1H3,(H,9,10)
InChIKeyCXTIHRQTCGOZRS-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.62
Rot. Bonds1

About 2-hydroxy-1-methylcyclopentane-1-carboxylic acid

2-hydroxy-1-methylcyclopentane-1-carboxylic acid (PubChem CID 14382720) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-hydroxy-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-1-methylcyclopentane-1-carboxylic acid
PubChem CID14382720
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2-hydroxy-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1O
InChIInChI=1S/C7H12O3/c1-7(6(9)10)4-2-3-5(7)8/h5,8H,2-4H2,1H3,(H,9,10)
InChIKeyCXTIHRQTCGOZRS-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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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-hydroxy-1-methylcyclopentane-1-carboxylic acid (CID 14382720) is 2-hydroxy-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-hydroxy-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-hydroxy-1-methylcyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1O.
What is the InChIKey of 2-hydroxy-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is CXTIHRQTCGOZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-7(6(9)10)4-2-3-5(7)8/h5,8H,2-4H2,1H3,(H,9,10).
What are the key properties of 2-hydroxy-1-methylcyclopentane-1-carboxylic acid?
2-hydroxy-1-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 2-hydroxy-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 14382720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).