2-[1-(2-butoxy-2-oxoethyl)cyclopentyl]acetic acid

C13H22O4 — CID 71030728

IUPAC2-[1-(2-butoxy-2-oxoethyl)cyclopentyl]acetic acid
SMILESCCCCOC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H22O4/c1-2-3-8-17-12(16)10-13(9-11(14)15)6-4-5-7-13/h2-10H2,1H3,(H,14,15)
InChIKeyCZVKNVVHIVKETQ-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.75
Rot. Bonds7

About 2-[1-(2-butoxy-2-oxoethyl)cyclopentyl]acetic acid

2-[1-(2-butoxy-2-oxoethyl)cyclopentyl]acetic acid (PubChem CID 71030728) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is 2-[1-(2-butoxy-2-oxoethyl)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-butoxy-2-oxoethyl)cyclopentyl]acetic acid
PubChem CID71030728
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name2-[1-(2-butoxy-2-oxoethyl)cyclopentyl]acetic acid
SMILESCCCCOC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H22O4/c1-2-3-8-17-12(16)10-13(9-11(14)15)6-4-5-7-13/h2-10H2,1H3,(H,14,15)
InChIKeyCZVKNVVHIVKETQ-UHFFFAOYSA-N
XLogP2.75
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-butoxycarbonylcyclopentyl)acetic acid
CID 70820633
2-[1-[(4-butanoyloxybutoxycarbonylamino)methyl]cyclohexyl]acetic acid
CID 91170638
2-[1-(aminomethyl)cyclohexyl]acetic acid;heptane
CID 19361922
2-(1-tetradecylcyclohexyl)acetic acid
CID 172766747
propyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161128
ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate
CID 12530959
2-[1-(4-butoxybutyl)-4-[2-oxo-2-(3-pentyloctoxy)ethyl]piperidin-4-yl]acetic acid
CID 169079693
3-butoxy-3-oxopropanoic acid
CID 21201188
2-[1-(butylaminomethyl)cyclopentyl]acetic acid
CID 23174791
3-[1-[2-[1-(2-butoxy-2-oxoethyl)cyclopentyl]acetyl]oxyethoxycarbonylamino]propane-1-sulfonic acid
CID 90206103
2-[1-(methoxymethyl)cyclohexyl]acetic acid
CID 115017080
3-[2-(1-methylcyclopentyl)acetyl]oxypropyl 2-(1-methylcyclopentyl)acetate
CID 131972587

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-butoxy-2-oxoethyl)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(2-butoxy-2-oxoethyl)cyclopentyl]acetic acid (CID 71030728) is 2-[1-(2-butoxy-2-oxoethyl)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(2-butoxy-2-oxoethyl)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(2-butoxy-2-oxoethyl)cyclopentyl]acetic acid is CCCCOC(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-(2-butoxy-2-oxoethyl)cyclopentyl]acetic acid?
The InChIKey is CZVKNVVHIVKETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c1-2-3-8-17-12(16)10-13(9-11(14)15)6-4-5-7-13/h2-10H2,1H3,(H,14,15).
What are the key properties of 2-[1-(2-butoxy-2-oxoethyl)cyclopentyl]acetic acid?
2-[1-(2-butoxy-2-oxoethyl)cyclopentyl]acetic acid has a molecular weight of 242.31 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-butoxy-2-oxoethyl)cyclopentyl]acetic acid is sourced from PubChem (CID 71030728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).