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

C10H15F2NO3 — CID 174175302

IUPAC3-(3,3-difluoro-4-oxopiperidin-1-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CCC(=O)C(F)(F)C1)C(=O)O
InChIInChI=1S/C10H15F2NO3/c1-9(2,8(15)16)5-13-4-3-7(14)10(11,12)6-13/h3-6H2,1-2H3,(H,15,16)
InChIKeyFWDXXUZAUVBVER-UHFFFAOYSA-N
MW235.23 g/mol
LogP1.01
Rot. Bonds3

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

3-(3,3-difluoro-4-oxopiperidin-1-yl)-2,2-dimethylpropanoic acid (PubChem CID 174175302) has the molecular formula C10H15F2NO3 and a molecular weight of 235.23 g/mol. Its IUPAC name is 3-(3,3-difluoro-4-oxopiperidin-1-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(3,3-difluoro-4-oxopiperidin-1-yl)-2,2-dimethylpropanoic acid
PubChem CID174175302
Molecular FormulaC10H15F2NO3
Molecular Weight235.23 g/mol
Exact Mass235.10
IUPAC Name3-(3,3-difluoro-4-oxopiperidin-1-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CCC(=O)C(F)(F)C1)C(=O)O
InChIInChI=1S/C10H15F2NO3/c1-9(2,8(15)16)5-13-4-3-7(14)10(11,12)6-13/h3-6H2,1-2H3,(H,15,16)
InChIKeyFWDXXUZAUVBVER-UHFFFAOYSA-N
XLogP1.01
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,3-difluoro-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

Related Compounds

3-(2,2,3,3,4,4,5,5,6,6-Decafluoropiperidin-1-yl)propanoic acid
CID 19000296
3-(3-Fluoro-4-hydroxypiperidin-1-yl)-2,2-dimethylpropanoic acid
CID 68967126
3-(3-Fluoro-4-oxopiperidin-1-yl)-2,2-dimethylpropanoic acid
CID 68969903
3-(4,4-Difluoro-piperidin-1-yl)-propionic acid
CID 83853591
3-(3-Fluoropiperidin-1-yl)propanoic acid
CID 115014449
3-(4,4-Difluoropiperidin-1-yl)-2,2-dimethylpropionic acid
CID 116991215
1-Methylpiperidin-4-one;2,2,2-trifluoroacetic acid
CID 155024120
3-(3-Fluoropiperidin-1-yl)propanoic acid;2,2,2-trifluoroacetic acid
CID 176097072
3-[3-(Trifluoromethyl)piperidin-1-yl]propanoic acid
CID 60648050
2,2-Dimethyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid
CID 65530881
2,2-Dimethyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanoic acid
CID 65533008
3-(4-(Trifluoromethyl)piperidin-1-yl)propanoic acid
CID 65536295

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoro-4-oxopiperidin-1-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(3,3-difluoro-4-oxopiperidin-1-yl)-2,2-dimethylpropanoic acid (CID 174175302) is 3-(3,3-difluoro-4-oxopiperidin-1-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(3,3-difluoro-4-oxopiperidin-1-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(3,3-difluoro-4-oxopiperidin-1-yl)-2,2-dimethylpropanoic acid is CC(C)(CN1CCC(=O)C(F)(F)C1)C(=O)O.
What is the InChIKey of 3-(3,3-difluoro-4-oxopiperidin-1-yl)-2,2-dimethylpropanoic acid?
The InChIKey is FWDXXUZAUVBVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO3/c1-9(2,8(15)16)5-13-4-3-7(14)10(11,12)6-13/h3-6H2,1-2H3,(H,15,16).
What are the key properties of 3-(3,3-difluoro-4-oxopiperidin-1-yl)-2,2-dimethylpropanoic acid?
3-(3,3-difluoro-4-oxopiperidin-1-yl)-2,2-dimethylpropanoic acid has a molecular weight of 235.23 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoro-4-oxopiperidin-1-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 174175302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).