2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]butanoic acid

C13H24O3 — CID 112590816

IUPAC2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]butanoic acid
SMILESCC(C)(C)OCCC(C(=O)O)C1CCCC1
InChIInChI=1S/C13H24O3/c1-13(2,3)16-9-8-11(12(14)15)10-6-4-5-7-10/h10-11H,4-9H2,1-3H3,(H,14,15)
InChIKeyWOTVPTXLRZVZEU-UHFFFAOYSA-N
MW228.33 g/mol
LogP3.08
Rot. Bonds5

About 2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]butanoic acid

2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]butanoic acid (PubChem CID 112590816) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]butanoic acid.

Molecular Properties

Compound Name2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]butanoic acid
PubChem CID112590816
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]butanoic acid
SMILESCC(C)(C)OCCC(C(=O)O)C1CCCC1
InChIInChI=1S/C13H24O3/c1-13(2,3)16-9-8-11(12(14)15)10-6-4-5-7-10/h10-11H,4-9H2,1-3H3,(H,14,15)
InChIKeyWOTVPTXLRZVZEU-UHFFFAOYSA-N
XLogP3.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-cyclohexyl-4-[4-[(2-methylpropan-2-yl)oxy]butoxy]-4-oxobutanoic acid
CID 142709506
2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 113427269
2-cyclopentyl-4-(3-methylbutoxy)butanoic acid
CID 112569302
2-cyclopentyl-4-(2-methylpropoxy)butanoic acid
CID 106454943
2-cyclohexyl-4-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]butanoic acid
CID 160562637
2-cyclopentyltridecanoic acid
CID 22665117
2-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 70184619
2-cycloheptylbutanoic acid
CID 79007061
2-cyclobutylhexanoic acid
CID 102568246
2-cyclohexyldecanoic acid
CID 19004831
CID 173256646
CID 173256646
(2S)-2-cyclobutylheptanoic acid
CID 99988049

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
The IUPAC name of 2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]butanoic acid (CID 112590816) is 2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]butanoic acid.
What is the SMILES notation for 2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
The canonical SMILES for 2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]butanoic acid is CC(C)(C)OCCC(C(=O)O)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
The InChIKey is WOTVPTXLRZVZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-13(2,3)16-9-8-11(12(14)15)10-6-4-5-7-10/h10-11H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]butanoic acid has a molecular weight of 228.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]butanoic acid is sourced from PubChem (CID 112590816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).