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

C10H11F2NO4S — CID 119358556

IUPAC2-[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)c1sccc1OC(F)F
InChIInChI=1S/C10H11F2NO4S/c1-5(9(15)16)13(2)8(14)7-6(3-4-18-7)17-10(11)12/h3-5,10H,1-2H3,(H,15,16)
InChIKeyRFFZMHAQXFWCOO-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.89
Rot. Bonds5

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

2-[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]propanoic acid (PubChem CID 119358556) has the molecular formula C10H11F2NO4S and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]propanoic acid
PubChem CID119358556
Molecular FormulaC10H11F2NO4S
Molecular Weight279.26 g/mol
Exact Mass279.04
IUPAC Name2-[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)c1sccc1OC(F)F
InChIInChI=1S/C10H11F2NO4S/c1-5(9(15)16)13(2)8(14)7-6(3-4-18-7)17-10(11)12/h3-5,10H,1-2H3,(H,15,16)
InChIKeyRFFZMHAQXFWCOO-UHFFFAOYSA-N
XLogP1.89
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.89
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]propanoic acid?
The IUPAC name of 2-[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]propanoic acid (CID 119358556) is 2-[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)c1sccc1OC(F)F.
What is the InChIKey of 2-[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]propanoic acid?
The InChIKey is RFFZMHAQXFWCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO4S/c1-5(9(15)16)13(2)8(14)7-6(3-4-18-7)17-10(11)12/h3-5,10H,1-2H3,(H,15,16).
What are the key properties of 2-[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]propanoic acid?
2-[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]propanoic acid has a molecular weight of 279.26 g/mol, XLogP of 1.89, 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]propanoic acid is sourced from PubChem (CID 119358556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).