2-[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]acetic acid

C9H9F2NO4S — CID 119172237

IUPAC2-[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1sccc1OC(F)F
InChIInChI=1S/C9H9F2NO4S/c1-12(4-6(13)14)8(15)7-5(2-3-17-7)16-9(10)11/h2-3,9H,4H2,1H3,(H,13,14)
InChIKeyIZXUZFSXUZQYOZ-UHFFFAOYSA-N
MW265.24 g/mol
LogP1.51
Rot. Bonds5

About 2-[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]acetic acid

2-[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]acetic acid (PubChem CID 119172237) has the molecular formula C9H9F2NO4S and a molecular weight of 265.24 g/mol. Its IUPAC name is 2-[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]acetic acid
PubChem CID119172237
Molecular FormulaC9H9F2NO4S
Molecular Weight265.24 g/mol
Exact Mass265.02
IUPAC Name2-[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1sccc1OC(F)F
InChIInChI=1S/C9H9F2NO4S/c1-12(4-6(13)14)8(15)7-5(2-3-17-7)16-9(10)11/h2-3,9H,4H2,1H3,(H,13,14)
InChIKeyIZXUZFSXUZQYOZ-UHFFFAOYSA-N
XLogP1.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]acetic acid?
The IUPAC name of 2-[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]acetic acid (CID 119172237) is 2-[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]acetic acid is CN(CC(=O)O)C(=O)c1sccc1OC(F)F.
What is the InChIKey of 2-[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]acetic acid?
The InChIKey is IZXUZFSXUZQYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO4S/c1-12(4-6(13)14)8(15)7-5(2-3-17-7)16-9(10)11/h2-3,9H,4H2,1H3,(H,13,14).
What are the key properties of 2-[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]acetic acid?
2-[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]acetic acid has a molecular weight of 265.24 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]acetic acid is sourced from PubChem (CID 119172237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).