1-(2-hydroxypropyl)-3-methylcyclopentane-1-carboxylic acid

C10H18O3 — CID 79429056

IUPAC1-(2-hydroxypropyl)-3-methylcyclopentane-1-carboxylic acid
SMILESCC(O)CC1(C(=O)O)CCC(C)C1
InChIInChI=1S/C10H18O3/c1-7-3-4-10(5-7,9(12)13)6-8(2)11/h7-8,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyKSYMQNMYHDVMAO-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.65
Rot. Bonds3

About 1-(2-hydroxypropyl)-3-methylcyclopentane-1-carboxylic acid

1-(2-hydroxypropyl)-3-methylcyclopentane-1-carboxylic acid (PubChem CID 79429056) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(2-hydroxypropyl)-3-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxypropyl)-3-methylcyclopentane-1-carboxylic acid
PubChem CID79429056
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name1-(2-hydroxypropyl)-3-methylcyclopentane-1-carboxylic acid
SMILESCC(O)CC1(C(=O)O)CCC(C)C1
InChIInChI=1S/C10H18O3/c1-7-3-4-10(5-7,9(12)13)6-8(2)11/h7-8,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyKSYMQNMYHDVMAO-UHFFFAOYSA-N
XLogP1.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

4-methyl-1-(2-methylpropyl)cyclohexane-1-carboxylic acid
CID 65394081
1-(2,2-difluoroethyl)-4-methylcyclohexane-1-carboxylic acid
CID 79425430
1-(2-ethylbutyl)-4-methylcyclohexane-1-carboxylic acid
CID 82935062
3-methyl-1-(3-methylsulfonylpropyl)cyclopentane-1-carboxylic acid
CID 65401103
1-(3-ethoxypropyl)-3-methylcyclopentane-1-carboxylic acid
CID 65401094
3-(2-hydroxypropyl)thiolane-3-carboxylic acid
CID 115018284
1-(2-hydroxybutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 79429049
1-(2-hydroxypropyl)-4-methylcyclohexane-1-carbaldehyde
CID 130630803
1-butyl-4-methylcyclohexane-1-carboxylic acid
CID 65395323
1-ethyl-4-methylcycloheptane-1-carboxylic acid
CID 89094333
1-[(2-bromophenyl)methyl]-3-methylcyclopentane-1-carboxylic acid
CID 65402725
1-[[(4-amino-3-methylbutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442615

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropyl)-3-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2-hydroxypropyl)-3-methylcyclopentane-1-carboxylic acid (CID 79429056) is 1-(2-hydroxypropyl)-3-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxypropyl)-3-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2-hydroxypropyl)-3-methylcyclopentane-1-carboxylic acid is CC(O)CC1(C(=O)O)CCC(C)C1.
What is the InChIKey of 1-(2-hydroxypropyl)-3-methylcyclopentane-1-carboxylic acid?
The InChIKey is KSYMQNMYHDVMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7-3-4-10(5-7,9(12)13)6-8(2)11/h7-8,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 1-(2-hydroxypropyl)-3-methylcyclopentane-1-carboxylic acid?
1-(2-hydroxypropyl)-3-methylcyclopentane-1-carboxylic acid has a molecular weight of 186.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropyl)-3-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 79429056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).