3-(3-fluoro-4-oxopiperidin-1-yl)-2,2-dimethylpropanoic acid

C10H16FNO3 — CID 68969903

IUPAC3-(3-fluoro-4-oxopiperidin-1-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CCC(=O)C(F)C1)C(=O)O
InChIInChI=1S/C10H16FNO3/c1-10(2,9(14)15)6-12-4-3-8(13)7(11)5-12/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyKSQSQQWNBXSCPP-UHFFFAOYSA-N
MW217.24 g/mol
LogP0.71
Rot. Bonds3

About 3-(3-fluoro-4-oxopiperidin-1-yl)-2,2-dimethylpropanoic acid

3-(3-fluoro-4-oxopiperidin-1-yl)-2,2-dimethylpropanoic acid (PubChem CID 68969903) has the molecular formula C10H16FNO3 and a molecular weight of 217.24 g/mol. Its IUPAC name is 3-(3-fluoro-4-oxopiperidin-1-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(3-fluoro-4-oxopiperidin-1-yl)-2,2-dimethylpropanoic acid
PubChem CID68969903
Molecular FormulaC10H16FNO3
Molecular Weight217.24 g/mol
Exact Mass217.11
IUPAC Name3-(3-fluoro-4-oxopiperidin-1-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CCC(=O)C(F)C1)C(=O)O
InChIInChI=1S/C10H16FNO3/c1-10(2,9(14)15)6-12-4-3-8(13)7(11)5-12/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyKSQSQQWNBXSCPP-UHFFFAOYSA-N
XLogP0.71
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-fluoro-4-oxopiperidin-1-yl)-2,2-dimethylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-oxopiperidin-1-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(3-fluoro-4-oxopiperidin-1-yl)-2,2-dimethylpropanoic acid (CID 68969903) is 3-(3-fluoro-4-oxopiperidin-1-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(3-fluoro-4-oxopiperidin-1-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(3-fluoro-4-oxopiperidin-1-yl)-2,2-dimethylpropanoic acid is CC(C)(CN1CCC(=O)C(F)C1)C(=O)O.
What is the InChIKey of 3-(3-fluoro-4-oxopiperidin-1-yl)-2,2-dimethylpropanoic acid?
The InChIKey is KSQSQQWNBXSCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO3/c1-10(2,9(14)15)6-12-4-3-8(13)7(11)5-12/h7H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 3-(3-fluoro-4-oxopiperidin-1-yl)-2,2-dimethylpropanoic acid?
3-(3-fluoro-4-oxopiperidin-1-yl)-2,2-dimethylpropanoic acid has a molecular weight of 217.24 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-oxopiperidin-1-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 68969903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).