2-[[3-(difluoromethoxy)thiophene-2-carbonyl]amino]butanoic acid

C10H11F2NO4S — CID 119223824

IUPAC2-[[3-(difluoromethoxy)thiophene-2-carbonyl]amino]butanoic acid
SMILESCCC(NC(=O)c1sccc1OC(F)F)C(=O)O
InChIInChI=1S/C10H11F2NO4S/c1-2-5(9(15)16)13-8(14)7-6(3-4-18-7)17-10(11)12/h3-5,10H,2H2,1H3,(H,13,14)(H,15,16)
InChIKeyBONYLLKNEDCULS-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.94
Rot. Bonds6

About 2-[[3-(difluoromethoxy)thiophene-2-carbonyl]amino]butanoic acid

2-[[3-(difluoromethoxy)thiophene-2-carbonyl]amino]butanoic acid (PubChem CID 119223824) has the molecular formula C10H11F2NO4S and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-[[3-(difluoromethoxy)thiophene-2-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[3-(difluoromethoxy)thiophene-2-carbonyl]amino]butanoic acid
PubChem CID119223824
Molecular FormulaC10H11F2NO4S
Molecular Weight279.26 g/mol
Exact Mass279.04
IUPAC Name2-[[3-(difluoromethoxy)thiophene-2-carbonyl]amino]butanoic acid
SMILESCCC(NC(=O)c1sccc1OC(F)F)C(=O)O
InChIInChI=1S/C10H11F2NO4S/c1-2-5(9(15)16)13-8(14)7-6(3-4-18-7)17-10(11)12/h3-5,10H,2H2,1H3,(H,13,14)(H,15,16)
InChIKeyBONYLLKNEDCULS-UHFFFAOYSA-N
XLogP1.94
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(difluoromethoxy)thiophene-2-carbonyl]amino]butanoic acid?
The IUPAC name of 2-[[3-(difluoromethoxy)thiophene-2-carbonyl]amino]butanoic acid (CID 119223824) is 2-[[3-(difluoromethoxy)thiophene-2-carbonyl]amino]butanoic acid.
What is the SMILES notation for 2-[[3-(difluoromethoxy)thiophene-2-carbonyl]amino]butanoic acid?
The canonical SMILES for 2-[[3-(difluoromethoxy)thiophene-2-carbonyl]amino]butanoic acid is CCC(NC(=O)c1sccc1OC(F)F)C(=O)O.
What is the InChIKey of 2-[[3-(difluoromethoxy)thiophene-2-carbonyl]amino]butanoic acid?
The InChIKey is BONYLLKNEDCULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO4S/c1-2-5(9(15)16)13-8(14)7-6(3-4-18-7)17-10(11)12/h3-5,10H,2H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[[3-(difluoromethoxy)thiophene-2-carbonyl]amino]butanoic acid?
2-[[3-(difluoromethoxy)thiophene-2-carbonyl]amino]butanoic acid has a molecular weight of 279.26 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(difluoromethoxy)thiophene-2-carbonyl]amino]butanoic acid is sourced from PubChem (CID 119223824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).