4-ethyl-6-(3-propan-2-ylazetidin-1-yl)hexanoic acid

C14H27NO2 — CID 79694270

IUPAC4-ethyl-6-(3-propan-2-ylazetidin-1-yl)hexanoic acid
SMILESCCC(CCC(=O)O)CCN1CC(C(C)C)C1
InChIInChI=1S/C14H27NO2/c1-4-12(5-6-14(16)17)7-8-15-9-13(10-15)11(2)3/h11-13H,4-10H2,1-3H3,(H,16,17)
InChIKeyGWOGIHICUCRFJI-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.86
Rot. Bonds8

About 4-ethyl-6-(3-propan-2-ylazetidin-1-yl)hexanoic acid

4-ethyl-6-(3-propan-2-ylazetidin-1-yl)hexanoic acid (PubChem CID 79694270) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-ethyl-6-(3-propan-2-ylazetidin-1-yl)hexanoic acid.

Molecular Properties

Compound Name4-ethyl-6-(3-propan-2-ylazetidin-1-yl)hexanoic acid
PubChem CID79694270
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-ethyl-6-(3-propan-2-ylazetidin-1-yl)hexanoic acid
SMILESCCC(CCC(=O)O)CCN1CC(C(C)C)C1
InChIInChI=1S/C14H27NO2/c1-4-12(5-6-14(16)17)7-8-15-9-13(10-15)11(2)3/h11-13H,4-10H2,1-3H3,(H,16,17)
InChIKeyGWOGIHICUCRFJI-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(3-propan-2-ylazetidin-1-yl)hexanoic acid?
The IUPAC name of 4-ethyl-6-(3-propan-2-ylazetidin-1-yl)hexanoic acid (CID 79694270) is 4-ethyl-6-(3-propan-2-ylazetidin-1-yl)hexanoic acid.
What is the SMILES notation for 4-ethyl-6-(3-propan-2-ylazetidin-1-yl)hexanoic acid?
The canonical SMILES for 4-ethyl-6-(3-propan-2-ylazetidin-1-yl)hexanoic acid is CCC(CCC(=O)O)CCN1CC(C(C)C)C1.
What is the InChIKey of 4-ethyl-6-(3-propan-2-ylazetidin-1-yl)hexanoic acid?
The InChIKey is GWOGIHICUCRFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-12(5-6-14(16)17)7-8-15-9-13(10-15)11(2)3/h11-13H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 4-ethyl-6-(3-propan-2-ylazetidin-1-yl)hexanoic acid?
4-ethyl-6-(3-propan-2-ylazetidin-1-yl)hexanoic acid has a molecular weight of 241.37 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(3-propan-2-ylazetidin-1-yl)hexanoic acid is sourced from PubChem (CID 79694270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).