2-hydroxy-1,3-dimethylcyclopentane-1-carboxylic acid

C8H14O3 — CID 130685696

IUPAC2-hydroxy-1,3-dimethylcyclopentane-1-carboxylic acid
SMILESCC1CCC(C)(C(=O)O)C1O
InChIInChI=1S/C8H14O3/c1-5-3-4-8(2,6(5)9)7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyDOXNBAWDMGQGGS-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.87
Rot. Bonds1

About 2-hydroxy-1,3-dimethylcyclopentane-1-carboxylic acid

2-hydroxy-1,3-dimethylcyclopentane-1-carboxylic acid (PubChem CID 130685696) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-hydroxy-1,3-dimethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-1,3-dimethylcyclopentane-1-carboxylic acid
PubChem CID130685696
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-hydroxy-1,3-dimethylcyclopentane-1-carboxylic acid
SMILESCC1CCC(C)(C(=O)O)C1O
InChIInChI=1S/C8H14O3/c1-5-3-4-8(2,6(5)9)7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyDOXNBAWDMGQGGS-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

cis-(1S,5R)-2,2,5-trimethylcyclopentan-1-ol
CID 101036298
(1R)-1,2-dimethylcyclopropane-1-carboxylic acid
CID 69400955
trans-(1R,2R)-2-bromo-1-methylcyclopropane-1-carboxylic acid
CID 6355513
cis-(1S,2S)-1-methyl-2-phenylcyclobutane-1-carboxylic acid
CID 99992019
(1S,2R,4R)-4-hydroxy-2-methoxy-1-methylcyclohexane-1-carboxylic acid
CID 118663332
(1R)-1,2,3-trimethyl-4-methylidenecyclopentane-1-carboxylic acid
CID 54380301
trans-(1R,2S)-1,2,3-trimethyl-4-methylidenecyclopentane-1-carboxylic acid
CID 59110765
1,3-dimethyl-2-(3-methylbut-2-enyl)cyclohexane-1-carboxylic acid
CID 67990675
(1R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 129318014
trans-(1S,2R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 55284582
1-fluoro-3,4-dimethylcyclohexane-1-carboxylic acid
CID 89159789
(2S)-2-amino-1-methylcyclohexane-1-carboxylic acid
CID 67285208

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,3-dimethylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-hydroxy-1,3-dimethylcyclopentane-1-carboxylic acid (CID 130685696) is 2-hydroxy-1,3-dimethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-hydroxy-1,3-dimethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-hydroxy-1,3-dimethylcyclopentane-1-carboxylic acid is CC1CCC(C)(C(=O)O)C1O.
What is the InChIKey of 2-hydroxy-1,3-dimethylcyclopentane-1-carboxylic acid?
The InChIKey is DOXNBAWDMGQGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-5-3-4-8(2,6(5)9)7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 2-hydroxy-1,3-dimethylcyclopentane-1-carboxylic acid?
2-hydroxy-1,3-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 2-hydroxy-1,3-dimethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 130685696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).