3-pyrrolidin-1-yldecanoic acid

C14H27NO2 — CID 64526772

IUPAC3-pyrrolidin-1-yldecanoic acid
SMILESCCCCCCCC(CC(=O)O)N1CCCC1
InChIInChI=1S/C14H27NO2/c1-2-3-4-5-6-9-13(12-14(16)17)15-10-7-8-11-15/h13H,2-12H2,1H3,(H,16,17)
InChIKeyOIUDXYZMMRUMHA-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.29
Rot. Bonds9

About 3-pyrrolidin-1-yldecanoic acid

3-pyrrolidin-1-yldecanoic acid (PubChem CID 64526772) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 3-pyrrolidin-1-yldecanoic acid.

Molecular Properties

Compound Name3-pyrrolidin-1-yldecanoic acid
PubChem CID64526772
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name3-pyrrolidin-1-yldecanoic acid
SMILESCCCCCCCC(CC(=O)O)N1CCCC1
InChIInChI=1S/C14H27NO2/c1-2-3-4-5-6-9-13(12-14(16)17)15-10-7-8-11-15/h13H,2-12H2,1H3,(H,16,17)
InChIKeyOIUDXYZMMRUMHA-UHFFFAOYSA-N
XLogP3.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.29
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

3-piperidin-1-ylnonanoic acid
CID 64527594
1-hexadecan-5-ylpiperidine
CID 175488405
1-undecan-5-ylpiperidine
CID 174506253
1-decan-3-ylpiperidine
CID 68984931
1-decan-4-ylpiperidine
CID 142178259
1-(1-iodononan-2-yl)pyrrolidine
CID 69028048
1-(23-methyltetracosan-7-yl)pyrrolidine
CID 69388285
1-(18-methylnonadecan-6-yl)pyrrolidine
CID 69395042
2-(azocan-1-yl)nonan-1-amine
CID 43130470
3-(1-nonan-2-ylpiperidin-3-yl)butanoic acid
CID 81047869
2-piperidin-1-ylheptanoic acid
CID 43803843
3-sulfanylhenicosanoic acid
CID 57128835

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yldecanoic acid?
The IUPAC name of 3-pyrrolidin-1-yldecanoic acid (CID 64526772) is 3-pyrrolidin-1-yldecanoic acid.
What is the SMILES notation for 3-pyrrolidin-1-yldecanoic acid?
The canonical SMILES for 3-pyrrolidin-1-yldecanoic acid is CCCCCCCC(CC(=O)O)N1CCCC1.
What is the InChIKey of 3-pyrrolidin-1-yldecanoic acid?
The InChIKey is OIUDXYZMMRUMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-3-4-5-6-9-13(12-14(16)17)15-10-7-8-11-15/h13H,2-12H2,1H3,(H,16,17).
What are the key properties of 3-pyrrolidin-1-yldecanoic acid?
3-pyrrolidin-1-yldecanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yldecanoic acid is sourced from PubChem (CID 64526772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).