3-methyl-5-oxo-5-piperidin-1-ylpentanoic acid

C11H19NO3 — CID 3885713

IUPAC3-methyl-5-oxo-5-piperidin-1-ylpentanoic acid
SMILESCC(CC(=O)O)CC(=O)N1CCCCC1
InChIInChI=1S/C11H19NO3/c1-9(8-11(14)15)7-10(13)12-5-3-2-4-6-12/h9H,2-8H2,1H3,(H,14,15)
InChIKeyUVLUTFPNPMQNQB-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.50
Rot. Bonds4

About 3-methyl-5-oxo-5-piperidin-1-ylpentanoic acid

3-methyl-5-oxo-5-piperidin-1-ylpentanoic acid (PubChem CID 3885713) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-methyl-5-oxo-5-piperidin-1-ylpentanoic acid.

Molecular Properties

Compound Name3-methyl-5-oxo-5-piperidin-1-ylpentanoic acid
PubChem CID3885713
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-methyl-5-oxo-5-piperidin-1-ylpentanoic acid
SMILESCC(CC(=O)O)CC(=O)N1CCCCC1
InChIInChI=1S/C11H19NO3/c1-9(8-11(14)15)7-10(13)12-5-3-2-4-6-12/h9H,2-8H2,1H3,(H,14,15)
InChIKeyUVLUTFPNPMQNQB-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-5-piperidin-1-ylpentanoic acid?
The IUPAC name of 3-methyl-5-oxo-5-piperidin-1-ylpentanoic acid (CID 3885713) is 3-methyl-5-oxo-5-piperidin-1-ylpentanoic acid.
What is the SMILES notation for 3-methyl-5-oxo-5-piperidin-1-ylpentanoic acid?
The canonical SMILES for 3-methyl-5-oxo-5-piperidin-1-ylpentanoic acid is CC(CC(=O)O)CC(=O)N1CCCCC1.
What is the InChIKey of 3-methyl-5-oxo-5-piperidin-1-ylpentanoic acid?
The InChIKey is UVLUTFPNPMQNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9(8-11(14)15)7-10(13)12-5-3-2-4-6-12/h9H,2-8H2,1H3,(H,14,15).
What are the key properties of 3-methyl-5-oxo-5-piperidin-1-ylpentanoic acid?
3-methyl-5-oxo-5-piperidin-1-ylpentanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-5-piperidin-1-ylpentanoic acid is sourced from PubChem (CID 3885713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).