2-amino-4-(4,4-difluoropiperidin-1-yl)-4-oxobutanoic acid

C9H14F2N2O3 — CID 116991151

IUPAC2-amino-4-(4,4-difluoropiperidin-1-yl)-4-oxobutanoic acid
SMILESNC(CC(=O)N1CCC(F)(F)CC1)C(=O)O
InChIInChI=1S/C9H14F2N2O3/c10-9(11)1-3-13(4-2-9)7(14)5-6(12)8(15)16/h6H,1-5,12H2,(H,15,16)
InChIKeyQUXDICBRHPNJOC-UHFFFAOYSA-N
MW236.22 g/mol
LogP0.05
Rot. Bonds3

About 2-amino-4-(4,4-difluoropiperidin-1-yl)-4-oxobutanoic acid

2-amino-4-(4,4-difluoropiperidin-1-yl)-4-oxobutanoic acid (PubChem CID 116991151) has the molecular formula C9H14F2N2O3 and a molecular weight of 236.22 g/mol. Its IUPAC name is 2-amino-4-(4,4-difluoropiperidin-1-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name2-amino-4-(4,4-difluoropiperidin-1-yl)-4-oxobutanoic acid
PubChem CID116991151
Molecular FormulaC9H14F2N2O3
Molecular Weight236.22 g/mol
Exact Mass236.10
IUPAC Name2-amino-4-(4,4-difluoropiperidin-1-yl)-4-oxobutanoic acid
SMILESNC(CC(=O)N1CCC(F)(F)CC1)C(=O)O
InChIInChI=1S/C9H14F2N2O3/c10-9(11)1-3-13(4-2-9)7(14)5-6(12)8(15)16/h6H,1-5,12H2,(H,15,16)
InChIKeyQUXDICBRHPNJOC-UHFFFAOYSA-N
XLogP0.05
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-4-(4,4-difluoropiperidin-1-yl)-4-oxobutanoic 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 2-amino-4-(4,4-difluoropiperidin-1-yl)-4-oxobutanoic acid?
The IUPAC name of 2-amino-4-(4,4-difluoropiperidin-1-yl)-4-oxobutanoic acid (CID 116991151) is 2-amino-4-(4,4-difluoropiperidin-1-yl)-4-oxobutanoic acid.
What is the SMILES notation for 2-amino-4-(4,4-difluoropiperidin-1-yl)-4-oxobutanoic acid?
The canonical SMILES for 2-amino-4-(4,4-difluoropiperidin-1-yl)-4-oxobutanoic acid is NC(CC(=O)N1CCC(F)(F)CC1)C(=O)O.
What is the InChIKey of 2-amino-4-(4,4-difluoropiperidin-1-yl)-4-oxobutanoic acid?
The InChIKey is QUXDICBRHPNJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O3/c10-9(11)1-3-13(4-2-9)7(14)5-6(12)8(15)16/h6H,1-5,12H2,(H,15,16).
What are the key properties of 2-amino-4-(4,4-difluoropiperidin-1-yl)-4-oxobutanoic acid?
2-amino-4-(4,4-difluoropiperidin-1-yl)-4-oxobutanoic acid has a molecular weight of 236.22 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4,4-difluoropiperidin-1-yl)-4-oxobutanoic acid is sourced from PubChem (CID 116991151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).