3-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]propanoic acid

C10H11F2NO4S — CID 43170622

IUPAC3-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ccc(CSC(F)F)o1
InChIInChI=1S/C10H11F2NO4S/c11-10(12)18-5-6-1-2-7(17-6)9(16)13-4-3-8(14)15/h1-2,10H,3-5H2,(H,13,16)(H,14,15)
InChIKeyQMFFASHMRTZJIO-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.94
Rot. Bonds7

About 3-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]propanoic acid

3-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]propanoic acid (PubChem CID 43170622) has the molecular formula C10H11F2NO4S and a molecular weight of 279.26 g/mol. Its IUPAC name is 3-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]propanoic acid
PubChem CID43170622
Molecular FormulaC10H11F2NO4S
Molecular Weight279.26 g/mol
Exact Mass279.04
IUPAC Name3-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ccc(CSC(F)F)o1
InChIInChI=1S/C10H11F2NO4S/c11-10(12)18-5-6-1-2-7(17-6)9(16)13-4-3-8(14)15/h1-2,10H,3-5H2,(H,13,16)(H,14,15)
InChIKeyQMFFASHMRTZJIO-UHFFFAOYSA-N
XLogP1.94
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]propanoic 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-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]propanoic acid (CID 43170622) is 3-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]propanoic acid is O=C(O)CCNC(=O)c1ccc(CSC(F)F)o1.
What is the InChIKey of 3-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]propanoic acid?
The InChIKey is QMFFASHMRTZJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO4S/c11-10(12)18-5-6-1-2-7(17-6)9(16)13-4-3-8(14)15/h1-2,10H,3-5H2,(H,13,16)(H,14,15).
What are the key properties of 3-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]propanoic acid?
3-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]propanoic acid has a molecular weight of 279.26 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 43170622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).