2-(3-methylbutan-2-yl)cyclopentane-1-carboxylic acid

C11H20O2 — CID 126999237

IUPAC2-(3-methylbutan-2-yl)cyclopentane-1-carboxylic acid
SMILESCC(C)C(C)C1CCCC1C(=O)O
InChIInChI=1S/C11H20O2/c1-7(2)8(3)9-5-4-6-10(9)11(12)13/h7-10H,4-6H2,1-3H3,(H,12,13)
InChIKeySENXSDQKQXTEQL-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.78
Rot. Bonds3

About 2-(3-methylbutan-2-yl)cyclopentane-1-carboxylic acid

2-(3-methylbutan-2-yl)cyclopentane-1-carboxylic acid (PubChem CID 126999237) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(3-methylbutan-2-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylbutan-2-yl)cyclopentane-1-carboxylic acid
PubChem CID126999237
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-(3-methylbutan-2-yl)cyclopentane-1-carboxylic acid
SMILESCC(C)C(C)C1CCCC1C(=O)O
InChIInChI=1S/C11H20O2/c1-7(2)8(3)9-5-4-6-10(9)11(12)13/h7-10H,4-6H2,1-3H3,(H,12,13)
InChIKeySENXSDQKQXTEQL-UHFFFAOYSA-N
XLogP2.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-2-(3-methylbutan-2-yl)cyclohexane-1-carboxylic acid
CID 130663279
cis-(1R,2S)-1-methyl-2-[(2R)-3-methylbutan-2-yl]cyclopentane
CID 163236440
2-[chloro(methylsulfonyl)methyl]cyclopentane-1-carboxylic acid
CID 71325864
trans-(1R,2R)-2-(1-hydroxyprop-2-enyl)cyclopentane-1-carboxylic acid
CID 54436723
2-(1,2,2-trifluoroethyl)cyclohexane-1-carboxylic acid
CID 175486496
trans-(1S,2S)-2-acetylcyclopentane-1-carboxylic acid
CID 98774560
cis-(1S,2R)-2-[(1-carboxy-2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092157
acetic acid;cyclohexane-1,2-dicarboxylic acid
CID 66603349
trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride
CID 70535628
(1R,2S,4R,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylic acid
CID 68905410
2-(2-methylpropoxy)cyclopentane-1-carboxylic acid
CID 18953099
2-(3-methylbutan-2-ylsulfanyl)cycloheptane-1-carboxylic acid
CID 107760783

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(3-methylbutan-2-yl)cyclopentane-1-carboxylic acid (CID 126999237) is 2-(3-methylbutan-2-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(3-methylbutan-2-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(3-methylbutan-2-yl)cyclopentane-1-carboxylic acid is CC(C)C(C)C1CCCC1C(=O)O.
What is the InChIKey of 2-(3-methylbutan-2-yl)cyclopentane-1-carboxylic acid?
The InChIKey is SENXSDQKQXTEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-7(2)8(3)9-5-4-6-10(9)11(12)13/h7-10H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-(3-methylbutan-2-yl)cyclopentane-1-carboxylic acid?
2-(3-methylbutan-2-yl)cyclopentane-1-carboxylic acid has a molecular weight of 184.28 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 126999237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).