4-[2-(2-methylpyrrolidin-1-yl)ethyl]heptanoic acid

C14H27NO2 — CID 79680348

IUPAC4-[2-(2-methylpyrrolidin-1-yl)ethyl]heptanoic acid
SMILESCCCC(CCC(=O)O)CCN1CCCC1C
InChIInChI=1S/C14H27NO2/c1-3-5-13(7-8-14(16)17)9-11-15-10-4-6-12(15)2/h12-13H,3-11H2,1-2H3,(H,16,17)
InChIKeyWZOXVGWOQASNGW-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.14
Rot. Bonds8

About 4-[2-(2-methylpyrrolidin-1-yl)ethyl]heptanoic acid

4-[2-(2-methylpyrrolidin-1-yl)ethyl]heptanoic acid (PubChem CID 79680348) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-[2-(2-methylpyrrolidin-1-yl)ethyl]heptanoic acid.

Molecular Properties

Compound Name4-[2-(2-methylpyrrolidin-1-yl)ethyl]heptanoic acid
PubChem CID79680348
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-[2-(2-methylpyrrolidin-1-yl)ethyl]heptanoic acid
SMILESCCCC(CCC(=O)O)CCN1CCCC1C
InChIInChI=1S/C14H27NO2/c1-3-5-13(7-8-14(16)17)9-11-15-10-4-6-12(15)2/h12-13H,3-11H2,1-2H3,(H,16,17)
InChIKeyWZOXVGWOQASNGW-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylpyrrolidin-1-yl)ethyl]heptanoic acid?
The IUPAC name of 4-[2-(2-methylpyrrolidin-1-yl)ethyl]heptanoic acid (CID 79680348) is 4-[2-(2-methylpyrrolidin-1-yl)ethyl]heptanoic acid.
What is the SMILES notation for 4-[2-(2-methylpyrrolidin-1-yl)ethyl]heptanoic acid?
The canonical SMILES for 4-[2-(2-methylpyrrolidin-1-yl)ethyl]heptanoic acid is CCCC(CCC(=O)O)CCN1CCCC1C.
What is the InChIKey of 4-[2-(2-methylpyrrolidin-1-yl)ethyl]heptanoic acid?
The InChIKey is WZOXVGWOQASNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-5-13(7-8-14(16)17)9-11-15-10-4-6-12(15)2/h12-13H,3-11H2,1-2H3,(H,16,17).
What are the key properties of 4-[2-(2-methylpyrrolidin-1-yl)ethyl]heptanoic acid?
4-[2-(2-methylpyrrolidin-1-yl)ethyl]heptanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylpyrrolidin-1-yl)ethyl]heptanoic acid is sourced from PubChem (CID 79680348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).