2-(1,2,2-trimethylcyclopentyl)pentanoic acid

C13H24O2 — CID 139578285

IUPAC2-(1,2,2-trimethylcyclopentyl)pentanoic acid
SMILESCCCC(C(=O)O)C1(C)CCCC1(C)C
InChIInChI=1S/C13H24O2/c1-5-7-10(11(14)15)13(4)9-6-8-12(13,2)3/h10H,5-9H2,1-4H3,(H,14,15)
InChIKeyZIPABJBYZVKKNH-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.70
Rot. Bonds4

About 2-(1,2,2-trimethylcyclopentyl)pentanoic acid

2-(1,2,2-trimethylcyclopentyl)pentanoic acid (PubChem CID 139578285) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-(1,2,2-trimethylcyclopentyl)pentanoic acid.

Molecular Properties

Compound Name2-(1,2,2-trimethylcyclopentyl)pentanoic acid
PubChem CID139578285
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-(1,2,2-trimethylcyclopentyl)pentanoic acid
SMILESCCCC(C(=O)O)C1(C)CCCC1(C)C
InChIInChI=1S/C13H24O2/c1-5-7-10(11(14)15)13(4)9-6-8-12(13,2)3/h10H,5-9H2,1-4H3,(H,14,15)
InChIKeyZIPABJBYZVKKNH-UHFFFAOYSA-N
XLogP3.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-hydroxy-2,2-dimethylcyclohexyl)butanoic acid
CID 79852603
2-(1-hydroxy-4-propan-2-ylcycloheptyl)pentanoic acid
CID 83042358
2-[(1-methylcyclopentyl)amino]pentanoic acid
CID 83041723
2-(2,2-dimethylpyrrolidin-1-yl)pentanoic acid
CID 83041929
2-(3-hydroxy-3-methylazetidin-1-yl)pentanoic acid
CID 83043746
2-silylpentanoic acid
CID 154177343
2-(4-methylspiro[4.4]nonan-4-yl)propanoic acid
CID 139578291
2-(1-hydroxy-2,2-dimethylcyclopentyl)propanoic acid
CID 79863080
1-hexan-3-yl-1-methylcyclobutane
CID 91314067
buta-1,3-dien-2-ol;1-butan-2-yl-1,2,2-trimethylcyclopentane;ethane
CID 143365281
2-[(2-methyloxolan-2-yl)methylamino]pentanoic acid
CID 83040810
(2R)-2-[(1-methylcyclopropanecarbonyl)amino]pentanoic acid
CID 165451319

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,2-trimethylcyclopentyl)pentanoic acid?
The IUPAC name of 2-(1,2,2-trimethylcyclopentyl)pentanoic acid (CID 139578285) is 2-(1,2,2-trimethylcyclopentyl)pentanoic acid.
What is the SMILES notation for 2-(1,2,2-trimethylcyclopentyl)pentanoic acid?
The canonical SMILES for 2-(1,2,2-trimethylcyclopentyl)pentanoic acid is CCCC(C(=O)O)C1(C)CCCC1(C)C.
What is the InChIKey of 2-(1,2,2-trimethylcyclopentyl)pentanoic acid?
The InChIKey is ZIPABJBYZVKKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-5-7-10(11(14)15)13(4)9-6-8-12(13,2)3/h10H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 2-(1,2,2-trimethylcyclopentyl)pentanoic acid?
2-(1,2,2-trimethylcyclopentyl)pentanoic acid has a molecular weight of 212.33 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2-trimethylcyclopentyl)pentanoic acid is sourced from PubChem (CID 139578285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).