5-(2-oxopiperidin-1-yl)hexanoic acid

C11H19NO3 — CID 82847597

IUPAC5-(2-oxopiperidin-1-yl)hexanoic acid
SMILESCC(CCCC(=O)O)N1CCCCC1=O
InChIInChI=1S/C11H19NO3/c1-9(5-4-7-11(14)15)12-8-3-2-6-10(12)13/h9H,2-8H2,1H3,(H,14,15)
InChIKeyUXNHWOMMYGJABB-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.64
Rot. Bonds5

About 5-(2-oxopiperidin-1-yl)hexanoic acid

5-(2-oxopiperidin-1-yl)hexanoic acid (PubChem CID 82847597) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-(2-oxopiperidin-1-yl)hexanoic acid.

Molecular Properties

Compound Name5-(2-oxopiperidin-1-yl)hexanoic acid
PubChem CID82847597
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name5-(2-oxopiperidin-1-yl)hexanoic acid
SMILESCC(CCCC(=O)O)N1CCCCC1=O
InChIInChI=1S/C11H19NO3/c1-9(5-4-7-11(14)15)12-8-3-2-6-10(12)13/h9H,2-8H2,1H3,(H,14,15)
InChIKeyUXNHWOMMYGJABB-UHFFFAOYSA-N
XLogP1.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-oxopiperidin-1-yl)hexanoic acid?
The IUPAC name of 5-(2-oxopiperidin-1-yl)hexanoic acid (CID 82847597) is 5-(2-oxopiperidin-1-yl)hexanoic acid.
What is the SMILES notation for 5-(2-oxopiperidin-1-yl)hexanoic acid?
The canonical SMILES for 5-(2-oxopiperidin-1-yl)hexanoic acid is CC(CCCC(=O)O)N1CCCCC1=O.
What is the InChIKey of 5-(2-oxopiperidin-1-yl)hexanoic acid?
The InChIKey is UXNHWOMMYGJABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9(5-4-7-11(14)15)12-8-3-2-6-10(12)13/h9H,2-8H2,1H3,(H,14,15).
What are the key properties of 5-(2-oxopiperidin-1-yl)hexanoic acid?
5-(2-oxopiperidin-1-yl)hexanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxopiperidin-1-yl)hexanoic acid is sourced from PubChem (CID 82847597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).