6-(3,3-dipropylazetidin-1-yl)hexanoic acid

C15H29NO2 — CID 79687885

IUPAC6-(3,3-dipropylazetidin-1-yl)hexanoic acid
SMILESCCCC1(CCC)CN(CCCCCC(=O)O)C1
InChIInChI=1S/C15H29NO2/c1-3-9-15(10-4-2)12-16(13-15)11-7-5-6-8-14(17)18/h3-13H2,1-2H3,(H,17,18)
InChIKeyMBSBXPYOVRPXPO-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.53
Rot. Bonds10

About 6-(3,3-dipropylazetidin-1-yl)hexanoic acid

6-(3,3-dipropylazetidin-1-yl)hexanoic acid (PubChem CID 79687885) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 6-(3,3-dipropylazetidin-1-yl)hexanoic acid.

Molecular Properties

Compound Name6-(3,3-dipropylazetidin-1-yl)hexanoic acid
PubChem CID79687885
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name6-(3,3-dipropylazetidin-1-yl)hexanoic acid
SMILESCCCC1(CCC)CN(CCCCCC(=O)O)C1
InChIInChI=1S/C15H29NO2/c1-3-9-15(10-4-2)12-16(13-15)11-7-5-6-8-14(17)18/h3-13H2,1-2H3,(H,17,18)
InChIKeyMBSBXPYOVRPXPO-UHFFFAOYSA-N
XLogP3.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dipropylazetidin-1-yl)hexanoic acid?
The IUPAC name of 6-(3,3-dipropylazetidin-1-yl)hexanoic acid (CID 79687885) is 6-(3,3-dipropylazetidin-1-yl)hexanoic acid.
What is the SMILES notation for 6-(3,3-dipropylazetidin-1-yl)hexanoic acid?
The canonical SMILES for 6-(3,3-dipropylazetidin-1-yl)hexanoic acid is CCCC1(CCC)CN(CCCCCC(=O)O)C1.
What is the InChIKey of 6-(3,3-dipropylazetidin-1-yl)hexanoic acid?
The InChIKey is MBSBXPYOVRPXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-9-15(10-4-2)12-16(13-15)11-7-5-6-8-14(17)18/h3-13H2,1-2H3,(H,17,18).
What are the key properties of 6-(3,3-dipropylazetidin-1-yl)hexanoic acid?
6-(3,3-dipropylazetidin-1-yl)hexanoic acid has a molecular weight of 255.40 g/mol, XLogP of 3.53, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dipropylazetidin-1-yl)hexanoic acid is sourced from PubChem (CID 79687885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).