3-(4,4-dimethyl-2-oxopiperidin-1-yl)butanoic acid

C11H19NO3 — CID 112546718

IUPAC3-(4,4-dimethyl-2-oxopiperidin-1-yl)butanoic acid
SMILESCC(CC(=O)O)N1CCC(C)(C)CC1=O
InChIInChI=1S/C11H19NO3/c1-8(6-10(14)15)12-5-4-11(2,3)7-9(12)13/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyVGEHLZFYFWNCRI-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.50
Rot. Bonds3

About 3-(4,4-dimethyl-2-oxopiperidin-1-yl)butanoic acid

3-(4,4-dimethyl-2-oxopiperidin-1-yl)butanoic acid (PubChem CID 112546718) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(4,4-dimethyl-2-oxopiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-(4,4-dimethyl-2-oxopiperidin-1-yl)butanoic acid
PubChem CID112546718
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-(4,4-dimethyl-2-oxopiperidin-1-yl)butanoic acid
SMILESCC(CC(=O)O)N1CCC(C)(C)CC1=O
InChIInChI=1S/C11H19NO3/c1-8(6-10(14)15)12-5-4-11(2,3)7-9(12)13/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyVGEHLZFYFWNCRI-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-(4,4-dimethyl-2-oxopiperidin-1-yl)butanoic acid?
The IUPAC name of 3-(4,4-dimethyl-2-oxopiperidin-1-yl)butanoic acid (CID 112546718) is 3-(4,4-dimethyl-2-oxopiperidin-1-yl)butanoic acid.
What is the SMILES notation for 3-(4,4-dimethyl-2-oxopiperidin-1-yl)butanoic acid?
The canonical SMILES for 3-(4,4-dimethyl-2-oxopiperidin-1-yl)butanoic acid is CC(CC(=O)O)N1CCC(C)(C)CC1=O.
What is the InChIKey of 3-(4,4-dimethyl-2-oxopiperidin-1-yl)butanoic acid?
The InChIKey is VGEHLZFYFWNCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(6-10(14)15)12-5-4-11(2,3)7-9(12)13/h8H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 3-(4,4-dimethyl-2-oxopiperidin-1-yl)butanoic acid?
3-(4,4-dimethyl-2-oxopiperidin-1-yl)butanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-2-oxopiperidin-1-yl)butanoic acid is sourced from PubChem (CID 112546718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).