2,2-dimethylcyclopentane-1,3-dicarboxylic acid

C9H14O4 — CID 5315650

IUPAC2,2-dimethylcyclopentane-1,3-dicarboxylic acid
SMILESCC1(C)C(C(=O)O)CCC1C(=O)O
InChIInChI=1S/C9H14O4/c1-9(2)5(7(10)11)3-4-6(9)8(12)13/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyUXWJRSXVTCIERS-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.21
Rot. Bonds2

About 2,2-dimethylcyclopentane-1,3-dicarboxylic acid

2,2-dimethylcyclopentane-1,3-dicarboxylic acid (PubChem CID 5315650) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2,2-dimethylcyclopentane-1,3-dicarboxylic acid.

Molecular Properties

Compound Name2,2-dimethylcyclopentane-1,3-dicarboxylic acid
PubChem CID5315650
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name2,2-dimethylcyclopentane-1,3-dicarboxylic acid
SMILESCC1(C)C(C(=O)O)CCC1C(=O)O
InChIInChI=1S/C9H14O4/c1-9(2)5(7(10)11)3-4-6(9)8(12)13/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyUXWJRSXVTCIERS-UHFFFAOYSA-N
XLogP1.21
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,2,3-Trimethylcyclopentyl)butanoic acid
CID 25099817
1,1-Cyclopentanediacetic acid
CID 85558
1,2,2-Trimethyl-1,3-cyclopentanedicarboxylic acid
CID 21491
Camphoric acid, (-)-
CID 219463
Camphoric Acid
CID 101807
Dimethyl 1,2,2-trimethyl-1,3-cyclopentanedicarboxylate
CID 348846
1,2,3,4-Cyclopentanetetracarboxylic acid
CID 19622
(1R,2R,3S,1'R)-Nepetalinic acid
CID 15560389
rel-(1R,2R,3S,4S)-1,2,3,4-Cyclopentanetetracarboxylic acid
CID 252253
3-(Methoxycarbonyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 274491
3-(Methoxycarbonyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid
CID 2736737
(1R,2S,4R)-4-methoxycarbonyl-2,3,3-trimethylcyclopentane-1-carboxylic acid
CID 24982151

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylcyclopentane-1,3-dicarboxylic acid?
The IUPAC name of 2,2-dimethylcyclopentane-1,3-dicarboxylic acid (CID 5315650) is 2,2-dimethylcyclopentane-1,3-dicarboxylic acid.
What is the SMILES notation for 2,2-dimethylcyclopentane-1,3-dicarboxylic acid?
The canonical SMILES for 2,2-dimethylcyclopentane-1,3-dicarboxylic acid is CC1(C)C(C(=O)O)CCC1C(=O)O.
What is the InChIKey of 2,2-dimethylcyclopentane-1,3-dicarboxylic acid?
The InChIKey is UXWJRSXVTCIERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-9(2)5(7(10)11)3-4-6(9)8(12)13/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2,2-dimethylcyclopentane-1,3-dicarboxylic acid?
2,2-dimethylcyclopentane-1,3-dicarboxylic acid has a molecular weight of 186.21 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylcyclopentane-1,3-dicarboxylic acid is sourced from PubChem (CID 5315650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).