2-(cyclopentylmethyl)-2-methylbutanoic acid

C11H20O2 — CID 62740428

IUPAC2-(cyclopentylmethyl)-2-methylbutanoic acid
SMILESCCC(C)(CC1CCCC1)C(=O)O
InChIInChI=1S/C11H20O2/c1-3-11(2,10(12)13)8-9-6-4-5-7-9/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyJOQBFESKFQJWKL-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.07
Rot. Bonds4

About 2-(cyclopentylmethyl)-2-methylbutanoic acid

2-(cyclopentylmethyl)-2-methylbutanoic acid (PubChem CID 62740428) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-2-methylbutanoic acid
PubChem CID62740428
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-(cyclopentylmethyl)-2-methylbutanoic acid
SMILESCCC(C)(CC1CCCC1)C(=O)O
InChIInChI=1S/C11H20O2/c1-3-11(2,10(12)13)8-9-6-4-5-7-9/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyJOQBFESKFQJWKL-UHFFFAOYSA-N
XLogP3.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(aminomethyl)-2-(cyclohexylmethyl)butanoic acid
CID 106487425
2-(cyclopentylmethyl)-2,3,3,3-tetrafluoropropanoic acid
CID 115036499
3-cyclopentyl-2-methyl-2-propanoyloxypropanoic acid
CID 175312642
2-(cyclohexylmethyl)-2,3,3,3-tetrafluoropropanoic acid
CID 115044604
2-(cyclobutylmethyl)-2-ethylhexanoic acid
CID 79425365
2-(cyclobutylmethyl)-2-propylpropanedioic acid
CID 174560392
1-cyclopentyl-2-methylpropan-2-ol
CID 18424051
(2S)-2-(hydroxymethyl)-2-methylbutanoic acid
CID 124539750
cyclopentane;2,2-dimethylbutylcyclopentane;propane
CID 162289353
2-cyclopentyloxy-2-ethylbutanoic acid
CID 114987710
2-[(2-cyclohexylacetyl)amino]-2-methylbutanoic acid
CID 79792659
2-(iodomethyl)-2-methylbutanoic acid
CID 155784783

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-2-methylbutanoic acid?
The IUPAC name of 2-(cyclopentylmethyl)-2-methylbutanoic acid (CID 62740428) is 2-(cyclopentylmethyl)-2-methylbutanoic acid.
What is the SMILES notation for 2-(cyclopentylmethyl)-2-methylbutanoic acid?
The canonical SMILES for 2-(cyclopentylmethyl)-2-methylbutanoic acid is CCC(C)(CC1CCCC1)C(=O)O.
What is the InChIKey of 2-(cyclopentylmethyl)-2-methylbutanoic acid?
The InChIKey is JOQBFESKFQJWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-11(2,10(12)13)8-9-6-4-5-7-9/h9H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 2-(cyclopentylmethyl)-2-methylbutanoic acid?
2-(cyclopentylmethyl)-2-methylbutanoic acid has a molecular weight of 184.28 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-2-methylbutanoic acid is sourced from PubChem (CID 62740428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).