4-methyl-2-(2-oxopiperidin-1-yl)pentanoic acid

C11H19NO3 — CID 43166881

IUPAC4-methyl-2-(2-oxopiperidin-1-yl)pentanoic acid
SMILESCC(C)CC(C(=O)O)N1CCCCC1=O
InChIInChI=1S/C11H19NO3/c1-8(2)7-9(11(14)15)12-6-4-3-5-10(12)13/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyLAOWICUCZUETCI-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.50
Rot. Bonds4

About 4-methyl-2-(2-oxopiperidin-1-yl)pentanoic acid

4-methyl-2-(2-oxopiperidin-1-yl)pentanoic acid (PubChem CID 43166881) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-methyl-2-(2-oxopiperidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(2-oxopiperidin-1-yl)pentanoic acid
PubChem CID43166881
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name4-methyl-2-(2-oxopiperidin-1-yl)pentanoic acid
SMILESCC(C)CC(C(=O)O)N1CCCCC1=O
InChIInChI=1S/C11H19NO3/c1-8(2)7-9(11(14)15)12-6-4-3-5-10(12)13/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyLAOWICUCZUETCI-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 4-methyl-2-(2-oxopiperidin-1-yl)pentanoic acid?
The IUPAC name of 4-methyl-2-(2-oxopiperidin-1-yl)pentanoic acid (CID 43166881) is 4-methyl-2-(2-oxopiperidin-1-yl)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(2-oxopiperidin-1-yl)pentanoic acid?
The canonical SMILES for 4-methyl-2-(2-oxopiperidin-1-yl)pentanoic acid is CC(C)CC(C(=O)O)N1CCCCC1=O.
What is the InChIKey of 4-methyl-2-(2-oxopiperidin-1-yl)pentanoic acid?
The InChIKey is LAOWICUCZUETCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(2)7-9(11(14)15)12-6-4-3-5-10(12)13/h8-9H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-2-(2-oxopiperidin-1-yl)pentanoic acid?
4-methyl-2-(2-oxopiperidin-1-yl)pentanoic 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 4-methyl-2-(2-oxopiperidin-1-yl)pentanoic acid is sourced from PubChem (CID 43166881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).