6-(3-propylazetidin-1-yl)hexanoic acid

C12H23NO2 — CID 79686619

IUPAC6-(3-propylazetidin-1-yl)hexanoic acid
SMILESCCCC1CN(CCCCCC(=O)O)C1
InChIInChI=1S/C12H23NO2/c1-2-6-11-9-13(10-11)8-5-3-4-7-12(14)15/h11H,2-10H2,1H3,(H,14,15)
InChIKeyRZRPBIBMJSQZCR-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.36
Rot. Bonds8

About 6-(3-propylazetidin-1-yl)hexanoic acid

6-(3-propylazetidin-1-yl)hexanoic acid (PubChem CID 79686619) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 6-(3-propylazetidin-1-yl)hexanoic acid.

Molecular Properties

Compound Name6-(3-propylazetidin-1-yl)hexanoic acid
PubChem CID79686619
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name6-(3-propylazetidin-1-yl)hexanoic acid
SMILESCCCC1CN(CCCCCC(=O)O)C1
InChIInChI=1S/C12H23NO2/c1-2-6-11-9-13(10-11)8-5-3-4-7-12(14)15/h11H,2-10H2,1H3,(H,14,15)
InChIKeyRZRPBIBMJSQZCR-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.36
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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Related Compounds

10-[1-(9-carboxynonyl)pyrrolidin-3-yl]decanoic acid
CID 150496556
3-[3-(methylamino)-5-propylpiperidin-1-yl]propanoic acid
CID 83990005
5-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pentanoic acid
CID 163404210
6-(aziridin-1-yl)hexanoic acid
CID 141385441
methanesulfonic acid;3-propyl-1-undecylpyrrolidine
CID 175583715
3-[1-butyl-5-(propylamino)piperidin-3-yl]propanoic acid
CID 83990902
4-(3-propan-2-ylazetidin-1-yl)butanoic acid
CID 79687036
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoic acid
CID 27351748
5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid
CID 66391546
decanoic acid
CID 173247116
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521

Frequently Asked Questions

What is the IUPAC name of 6-(3-propylazetidin-1-yl)hexanoic acid?
The IUPAC name of 6-(3-propylazetidin-1-yl)hexanoic acid (CID 79686619) is 6-(3-propylazetidin-1-yl)hexanoic acid.
What is the SMILES notation for 6-(3-propylazetidin-1-yl)hexanoic acid?
The canonical SMILES for 6-(3-propylazetidin-1-yl)hexanoic acid is CCCC1CN(CCCCCC(=O)O)C1.
What is the InChIKey of 6-(3-propylazetidin-1-yl)hexanoic acid?
The InChIKey is RZRPBIBMJSQZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-6-11-9-13(10-11)8-5-3-4-7-12(14)15/h11H,2-10H2,1H3,(H,14,15).
What are the key properties of 6-(3-propylazetidin-1-yl)hexanoic acid?
6-(3-propylazetidin-1-yl)hexanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-propylazetidin-1-yl)hexanoic acid is sourced from PubChem (CID 79686619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).