2-[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]-methylamino]propanoic acid

C11H13F2NO4S — CID 119359149

IUPAC2-[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]-methylamino]propanoic acid
SMILESCc1cc(OC(F)F)c(C(=O)N(C)C(C)C(=O)O)s1
InChIInChI=1S/C11H13F2NO4S/c1-5-4-7(18-11(12)13)8(19-5)9(15)14(3)6(2)10(16)17/h4,6,11H,1-3H3,(H,16,17)
InChIKeyYUISNFVSTYYOFG-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.20
Rot. Bonds5

About 2-[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]-methylamino]propanoic acid

2-[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]-methylamino]propanoic acid (PubChem CID 119359149) has the molecular formula C11H13F2NO4S and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]-methylamino]propanoic acid
PubChem CID119359149
Molecular FormulaC11H13F2NO4S
Molecular Weight293.29 g/mol
Exact Mass293.05
IUPAC Name2-[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]-methylamino]propanoic acid
SMILESCc1cc(OC(F)F)c(C(=O)N(C)C(C)C(=O)O)s1
InChIInChI=1S/C11H13F2NO4S/c1-5-4-7(18-11(12)13)8(19-5)9(15)14(3)6(2)10(16)17/h4,6,11H,1-3H3,(H,16,17)
InChIKeyYUISNFVSTYYOFG-UHFFFAOYSA-N
XLogP2.20
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]-methylamino]propanoic acid (CID 119359149) is 2-[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]-methylamino]propanoic acid is Cc1cc(OC(F)F)c(C(=O)N(C)C(C)C(=O)O)s1.
What is the InChIKey of 2-[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]-methylamino]propanoic acid?
The InChIKey is YUISNFVSTYYOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO4S/c1-5-4-7(18-11(12)13)8(19-5)9(15)14(3)6(2)10(16)17/h4,6,11H,1-3H3,(H,16,17).
What are the key properties of 2-[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]-methylamino]propanoic acid?
2-[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]-methylamino]propanoic acid has a molecular weight of 293.29 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]-methylamino]propanoic acid is sourced from PubChem (CID 119359149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).