2-[(1,1-dioxothiolan-3-yl)-(2-fluoroethyl)amino]acetic acid

C8H14FNO4S — CID 80695437

IUPAC2-[(1,1-dioxothiolan-3-yl)-(2-fluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CCF)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H14FNO4S/c9-2-3-10(5-8(11)12)7-1-4-15(13,14)6-7/h7H,1-6H2,(H,11,12)
InChIKeyXQZNQIWGBJFBTB-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.47
Rot. Bonds5

About 2-[(1,1-dioxothiolan-3-yl)-(2-fluoroethyl)amino]acetic acid

2-[(1,1-dioxothiolan-3-yl)-(2-fluoroethyl)amino]acetic acid (PubChem CID 80695437) has the molecular formula C8H14FNO4S and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-(2-fluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-(2-fluoroethyl)amino]acetic acid
PubChem CID80695437
Molecular FormulaC8H14FNO4S
Molecular Weight239.27 g/mol
Exact Mass239.06
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-(2-fluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CCF)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H14FNO4S/c9-2-3-10(5-8(11)12)7-1-4-15(13,14)6-7/h7H,1-6H2,(H,11,12)
InChIKeyXQZNQIWGBJFBTB-UHFFFAOYSA-N
XLogP-0.47
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1,1-dioxothiolan-3-yl)-(2-fluoroethyl)amino]acetic 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-[(1,1-dioxothiolan-3-yl)-(2-fluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-(2-fluoroethyl)amino]acetic acid (CID 80695437) is 2-[(1,1-dioxothiolan-3-yl)-(2-fluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-(2-fluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-(2-fluoroethyl)amino]acetic acid is O=C(O)CN(CCF)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-(2-fluoroethyl)amino]acetic acid?
The InChIKey is XQZNQIWGBJFBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO4S/c9-2-3-10(5-8(11)12)7-1-4-15(13,14)6-7/h7H,1-6H2,(H,11,12).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-(2-fluoroethyl)amino]acetic acid?
2-[(1,1-dioxothiolan-3-yl)-(2-fluoroethyl)amino]acetic acid has a molecular weight of 239.27 g/mol, XLogP of -0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)-(2-fluoroethyl)amino]acetic acid is sourced from PubChem (CID 80695437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).