2-[(3-methoxythiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C10H10F3NO4S — CID 81126516

IUPAC2-[(3-methoxythiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOc1ccsc1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H10F3NO4S/c1-18-6-2-3-19-8(6)9(17)14(4-7(15)16)5-10(11,12)13/h2-3H,4-5H2,1H3,(H,15,16)
InChIKeyIOIIHIOTXQBUOS-UHFFFAOYSA-N
MW297.25 g/mol
LogP1.85
Rot. Bonds5

About 2-[(3-methoxythiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(3-methoxythiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 81126516) has the molecular formula C10H10F3NO4S and a molecular weight of 297.25 g/mol. Its IUPAC name is 2-[(3-methoxythiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-methoxythiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID81126516
Molecular FormulaC10H10F3NO4S
Molecular Weight297.25 g/mol
Exact Mass297.03
IUPAC Name2-[(3-methoxythiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOc1ccsc1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H10F3NO4S/c1-18-6-2-3-19-8(6)9(17)14(4-7(15)16)5-10(11,12)13/h2-3H,4-5H2,1H3,(H,15,16)
InChIKeyIOIIHIOTXQBUOS-UHFFFAOYSA-N
XLogP1.85
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxythiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(3-methoxythiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 81126516) is 2-[(3-methoxythiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-methoxythiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(3-methoxythiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is COc1ccsc1C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[(3-methoxythiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is IOIIHIOTXQBUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4S/c1-18-6-2-3-19-8(6)9(17)14(4-7(15)16)5-10(11,12)13/h2-3H,4-5H2,1H3,(H,15,16).
What are the key properties of 2-[(3-methoxythiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(3-methoxythiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 297.25 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxythiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 81126516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).