3-methyl-3-pyrrolidin-1-ylhexanoic acid

C11H21NO2 — CID 64528524

IUPAC3-methyl-3-pyrrolidin-1-ylhexanoic acid
SMILESCCCC(C)(CC(=O)O)N1CCCC1
InChIInChI=1S/C11H21NO2/c1-3-6-11(2,9-10(13)14)12-7-4-5-8-12/h3-9H2,1-2H3,(H,13,14)
InChIKeyYSLWTQGFRZENOZ-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.12
Rot. Bonds5

About 3-methyl-3-pyrrolidin-1-ylhexanoic acid

3-methyl-3-pyrrolidin-1-ylhexanoic acid (PubChem CID 64528524) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-methyl-3-pyrrolidin-1-ylhexanoic acid.

Molecular Properties

Compound Name3-methyl-3-pyrrolidin-1-ylhexanoic acid
PubChem CID64528524
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-methyl-3-pyrrolidin-1-ylhexanoic acid
SMILESCCCC(C)(CC(=O)O)N1CCCC1
InChIInChI=1S/C11H21NO2/c1-3-6-11(2,9-10(13)14)12-7-4-5-8-12/h3-9H2,1-2H3,(H,13,14)
InChIKeyYSLWTQGFRZENOZ-UHFFFAOYSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-pyrrolidin-1-ylhexanoic acid?
The IUPAC name of 3-methyl-3-pyrrolidin-1-ylhexanoic acid (CID 64528524) is 3-methyl-3-pyrrolidin-1-ylhexanoic acid.
What is the SMILES notation for 3-methyl-3-pyrrolidin-1-ylhexanoic acid?
The canonical SMILES for 3-methyl-3-pyrrolidin-1-ylhexanoic acid is CCCC(C)(CC(=O)O)N1CCCC1.
What is the InChIKey of 3-methyl-3-pyrrolidin-1-ylhexanoic acid?
The InChIKey is YSLWTQGFRZENOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-6-11(2,9-10(13)14)12-7-4-5-8-12/h3-9H2,1-2H3,(H,13,14).
What are the key properties of 3-methyl-3-pyrrolidin-1-ylhexanoic acid?
3-methyl-3-pyrrolidin-1-ylhexanoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-pyrrolidin-1-ylhexanoic acid is sourced from PubChem (CID 64528524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).