3-hydroxy-2,2-dimethyl-3-propan-2-ylcyclopentane-1-carboxylic acid

C11H20O3 — CID 118103364

IUPAC3-hydroxy-2,2-dimethyl-3-propan-2-ylcyclopentane-1-carboxylic acid
SMILESCC(C)C1(O)CCC(C(=O)O)C1(C)C
InChIInChI=1S/C11H20O3/c1-7(2)11(14)6-5-8(9(12)13)10(11,3)4/h7-8,14H,5-6H2,1-4H3,(H,12,13)
InChIKeyPXGQRRSMECTUSZ-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.89
Rot. Bonds2

About 3-hydroxy-2,2-dimethyl-3-propan-2-ylcyclopentane-1-carboxylic acid

3-hydroxy-2,2-dimethyl-3-propan-2-ylcyclopentane-1-carboxylic acid (PubChem CID 118103364) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-hydroxy-2,2-dimethyl-3-propan-2-ylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-2,2-dimethyl-3-propan-2-ylcyclopentane-1-carboxylic acid
PubChem CID118103364
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name3-hydroxy-2,2-dimethyl-3-propan-2-ylcyclopentane-1-carboxylic acid
SMILESCC(C)C1(O)CCC(C(=O)O)C1(C)C
InChIInChI=1S/C11H20O3/c1-7(2)11(14)6-5-8(9(12)13)10(11,3)4/h7-8,14H,5-6H2,1-4H3,(H,12,13)
InChIKeyPXGQRRSMECTUSZ-UHFFFAOYSA-N
XLogP1.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,4S)-4-hydroxy-2,2-dimethyl-4-(2-methylpropyl)cyclohexane-1-carboxylic acid
CID 118334230
sodium 3-carboxy-1,2,2-trimethylcyclopentane-1-carboxylate
CID 23674493
cis-(1S,4R)-4-amino-4-hydroxy-2,2-dimethylcyclohexane-1-carboxylic acid;ethane
CID 144739628
trans-(1S,4S)-4-ethyl-4-hydroxy-2,2-dimethylcyclohexane-1-carboxylic acid
CID 126657384
2,2,3-trimethyl-3-(methylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 22898742
2,2-dimethylcyclopentane-1,3-dicarboxylic acid
CID 5315650
cis-(1S,4S)-2,2-dimethyl-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 118343603
3-(acetyloxymethyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid
CID 70230096
trans-(1R,3S)-3-methyl-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 124680789
benzene;2,2-dimethylcyclopropane-1-carboxylic acid
CID 144977859
4,4-dimethylpiperidine-3-carboxylic acid
CID 83669924
methyl 4-hydroxy-2,2-dimethyl-4-propan-2-ylcyclohexane-1-carboxylate
CID 90380512

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2-dimethyl-3-propan-2-ylcyclopentane-1-carboxylic acid?
The IUPAC name of 3-hydroxy-2,2-dimethyl-3-propan-2-ylcyclopentane-1-carboxylic acid (CID 118103364) is 3-hydroxy-2,2-dimethyl-3-propan-2-ylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-hydroxy-2,2-dimethyl-3-propan-2-ylcyclopentane-1-carboxylic acid?
The canonical SMILES for 3-hydroxy-2,2-dimethyl-3-propan-2-ylcyclopentane-1-carboxylic acid is CC(C)C1(O)CCC(C(=O)O)C1(C)C.
What is the InChIKey of 3-hydroxy-2,2-dimethyl-3-propan-2-ylcyclopentane-1-carboxylic acid?
The InChIKey is PXGQRRSMECTUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-7(2)11(14)6-5-8(9(12)13)10(11,3)4/h7-8,14H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 3-hydroxy-2,2-dimethyl-3-propan-2-ylcyclopentane-1-carboxylic acid?
3-hydroxy-2,2-dimethyl-3-propan-2-ylcyclopentane-1-carboxylic acid has a molecular weight of 200.28 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,2-dimethyl-3-propan-2-ylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 118103364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).