2-(1-hydroxy-2,2-dimethylcyclopentyl)propanoic acid

C10H18O3 — CID 79863080

IUPAC2-(1-hydroxy-2,2-dimethylcyclopentyl)propanoic acid
SMILESCC(C(=O)O)C1(O)CCCC1(C)C
InChIInChI=1S/C10H18O3/c1-7(8(11)12)10(13)6-4-5-9(10,2)3/h7,13H,4-6H2,1-3H3,(H,11,12)
InChIKeyADTPACCWQUKSGK-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.65
Rot. Bonds2

About 2-(1-hydroxy-2,2-dimethylcyclopentyl)propanoic acid

2-(1-hydroxy-2,2-dimethylcyclopentyl)propanoic acid (PubChem CID 79863080) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(1-hydroxy-2,2-dimethylcyclopentyl)propanoic acid.

Molecular Properties

Compound Name2-(1-hydroxy-2,2-dimethylcyclopentyl)propanoic acid
PubChem CID79863080
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-(1-hydroxy-2,2-dimethylcyclopentyl)propanoic acid
SMILESCC(C(=O)O)C1(O)CCCC1(C)C
InChIInChI=1S/C10H18O3/c1-7(8(11)12)10(13)6-4-5-9(10,2)3/h7,13H,4-6H2,1-3H3,(H,11,12)
InChIKeyADTPACCWQUKSGK-UHFFFAOYSA-N
XLogP1.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2,2-dimethylcyclopentyl)propanoic acid?
The IUPAC name of 2-(1-hydroxy-2,2-dimethylcyclopentyl)propanoic acid (CID 79863080) is 2-(1-hydroxy-2,2-dimethylcyclopentyl)propanoic acid.
What is the SMILES notation for 2-(1-hydroxy-2,2-dimethylcyclopentyl)propanoic acid?
The canonical SMILES for 2-(1-hydroxy-2,2-dimethylcyclopentyl)propanoic acid is CC(C(=O)O)C1(O)CCCC1(C)C.
What is the InChIKey of 2-(1-hydroxy-2,2-dimethylcyclopentyl)propanoic acid?
The InChIKey is ADTPACCWQUKSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7(8(11)12)10(13)6-4-5-9(10,2)3/h7,13H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 2-(1-hydroxy-2,2-dimethylcyclopentyl)propanoic acid?
2-(1-hydroxy-2,2-dimethylcyclopentyl)propanoic acid has a molecular weight of 186.25 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2,2-dimethylcyclopentyl)propanoic acid is sourced from PubChem (CID 79863080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).