1-hydroxy-2,5-dimethylcyclopentane-1-carboxylic acid

C8H14O3 — CID 83905293

IUPAC1-hydroxy-2,5-dimethylcyclopentane-1-carboxylic acid
SMILESCC1CCC(C)C1(O)C(=O)O
InChIInChI=1S/C8H14O3/c1-5-3-4-6(2)8(5,11)7(9)10/h5-6,11H,3-4H2,1-2H3,(H,9,10)
InChIKeyXOULMTJYXLWGBP-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.87
Rot. Bonds1

About 1-hydroxy-2,5-dimethylcyclopentane-1-carboxylic acid

1-hydroxy-2,5-dimethylcyclopentane-1-carboxylic acid (PubChem CID 83905293) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-hydroxy-2,5-dimethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-2,5-dimethylcyclopentane-1-carboxylic acid
PubChem CID83905293
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name1-hydroxy-2,5-dimethylcyclopentane-1-carboxylic acid
SMILESCC1CCC(C)C1(O)C(=O)O
InChIInChI=1S/C8H14O3/c1-5-3-4-6(2)8(5,11)7(9)10/h5-6,11H,3-4H2,1-2H3,(H,9,10)
InChIKeyXOULMTJYXLWGBP-UHFFFAOYSA-N
XLogP0.87
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-hydroxy-2,7-dimethylcycloheptane-1-carboxylic acid
CID 83906995
(1R)-1,2-dimethylcyclopropane-1-carboxylic acid
CID 69400955
1-hydroxy-2,2,5-trimethylcyclopentane-1-carboxylic acid
CID 83905947
(1R)-2,2,3-trimethylcyclopentane-1-carboxylic acid
CID 143623982
1-hydroxy-3-methylcyclopentane-1-carboxylic acid
CID 43142852
propan-2-yl (1S,2S,5S)-1-hydroxy-2-[(E)-2-[(1R,2R,3R)-2-hydroxy-3-methyl-2-propan-2-yloxycarbonylcyclopentyl]ethenyl]-5-methylcyclopentane-1-carboxylate
CID 139092272
carbonic acid;1,1-dichloro-2-methylcyclopropane
CID 68873513
1,2,3-trimethylcyclobutane-1,2-dicarboxylic acid
CID 20525202
2-methyl-1-(methylamino)cyclopropane-1-carboxylic acid
CID 4627778
(1R,5S)-6-hydroxy-3,3-dimethyl-2,4-dioxabicyclo[3.1.0]hexane-6-carboxylic acid
CID 129321150
2-methyl-1-methylsulfonylcyclobutane-1-carboxylic acid
CID 66429735
1,2,2,3-tetramethylcyclohexane-1-carboxylic acid
CID 150924560

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,5-dimethylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-hydroxy-2,5-dimethylcyclopentane-1-carboxylic acid (CID 83905293) is 1-hydroxy-2,5-dimethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-hydroxy-2,5-dimethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-hydroxy-2,5-dimethylcyclopentane-1-carboxylic acid is CC1CCC(C)C1(O)C(=O)O.
What is the InChIKey of 1-hydroxy-2,5-dimethylcyclopentane-1-carboxylic acid?
The InChIKey is XOULMTJYXLWGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-5-3-4-6(2)8(5,11)7(9)10/h5-6,11H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 1-hydroxy-2,5-dimethylcyclopentane-1-carboxylic acid?
1-hydroxy-2,5-dimethylcyclopentane-1-carboxylic acid has a molecular weight of 158.20 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,5-dimethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 83905293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).