2-methyl-4-(2,2,3-trimethylcyclopentyl)butanoic acid

C13H24O2 — CID 141216696

IUPAC2-methyl-4-(2,2,3-trimethylcyclopentyl)butanoic acid
SMILESCC(CCC1CCC(C)C1(C)C)C(=O)O
InChIInChI=1S/C13H24O2/c1-9(12(14)15)5-7-11-8-6-10(2)13(11,3)4/h9-11H,5-8H2,1-4H3,(H,14,15)
InChIKeyVZQYDMJKVVCSGZ-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.56
Rot. Bonds4

About 2-methyl-4-(2,2,3-trimethylcyclopentyl)butanoic acid

2-methyl-4-(2,2,3-trimethylcyclopentyl)butanoic acid (PubChem CID 141216696) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-methyl-4-(2,2,3-trimethylcyclopentyl)butanoic acid.

Molecular Properties

Compound Name2-methyl-4-(2,2,3-trimethylcyclopentyl)butanoic acid
PubChem CID141216696
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-methyl-4-(2,2,3-trimethylcyclopentyl)butanoic acid
SMILESCC(CCC1CCC(C)C1(C)C)C(=O)O
InChIInChI=1S/C13H24O2/c1-9(12(14)15)5-7-11-8-6-10(2)13(11,3)4/h9-11H,5-8H2,1-4H3,(H,14,15)
InChIKeyVZQYDMJKVVCSGZ-UHFFFAOYSA-N
XLogP3.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-6-[(1S)-2,2,3-trimethylcyclopentyl]hexan-3-one
CID 129088404
(2R)-2-methyl-4-[(3R)-2,2,3-trimethylcyclopentyl]butan-1-ol
CID 11095605
(5R)-1,1,2-trimethyl-5-[(3S)-3-methylpentyl]cyclopentane
CID 145389253
2-methyl-4-(2,2,3-trimethylcyclopentyl)butan-1-ol;1-(4-propan-2-ylcyclohexyl)ethanol
CID 139577549
methyl 4-(2,2,3-trimethylcyclopentyl)butanoate
CID 102502301
4-(4-fluorocyclohexyl)-2-methylbutanoic acid
CID 84733885
2-methyl-4-piperidin-4-ylbutanoic acid;hydrochloride
CID 162322945
(2R)-4-[(1S,2S)-2-hydroxy-2,6,6-trimethylcyclohexyl]-2-methylbutanoic acid
CID 11053833
(2,2,3-trimethylcyclopentyl)methanamine
CID 55290108
ethane;2-methylidene-4-(2,2,3-trimethylcyclopentyl)butan-1-ol
CID 155737332
2-(2,2,3-trimethylcyclopentyl)acetaldehyde
CID 22414255
1,1,2-trimethyl-4-(3-methylbutyl)cyclobutane
CID 123981363

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2,2,3-trimethylcyclopentyl)butanoic acid?
The IUPAC name of 2-methyl-4-(2,2,3-trimethylcyclopentyl)butanoic acid (CID 141216696) is 2-methyl-4-(2,2,3-trimethylcyclopentyl)butanoic acid.
What is the SMILES notation for 2-methyl-4-(2,2,3-trimethylcyclopentyl)butanoic acid?
The canonical SMILES for 2-methyl-4-(2,2,3-trimethylcyclopentyl)butanoic acid is CC(CCC1CCC(C)C1(C)C)C(=O)O.
What is the InChIKey of 2-methyl-4-(2,2,3-trimethylcyclopentyl)butanoic acid?
The InChIKey is VZQYDMJKVVCSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-9(12(14)15)5-7-11-8-6-10(2)13(11,3)4/h9-11H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 2-methyl-4-(2,2,3-trimethylcyclopentyl)butanoic acid?
2-methyl-4-(2,2,3-trimethylcyclopentyl)butanoic acid has a molecular weight of 212.33 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,2,3-trimethylcyclopentyl)butanoic acid is sourced from PubChem (CID 141216696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).