2-[ethyl-(5-ethylthiophene-2-carbonyl)amino]acetic acid

C11H15NO3S — CID 61021518

IUPAC2-[ethyl-(5-ethylthiophene-2-carbonyl)amino]acetic acid
SMILESCCc1ccc(C(=O)N(CC)CC(=O)O)s1
InChIInChI=1S/C11H15NO3S/c1-3-8-5-6-9(16-8)11(15)12(4-2)7-10(13)14/h5-6H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyQFALWCLIORITEM-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.86
Rot. Bonds5

About 2-[ethyl-(5-ethylthiophene-2-carbonyl)amino]acetic acid

2-[ethyl-(5-ethylthiophene-2-carbonyl)amino]acetic acid (PubChem CID 61021518) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-[ethyl-(5-ethylthiophene-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(5-ethylthiophene-2-carbonyl)amino]acetic acid
PubChem CID61021518
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name2-[ethyl-(5-ethylthiophene-2-carbonyl)amino]acetic acid
SMILESCCc1ccc(C(=O)N(CC)CC(=O)O)s1
InChIInChI=1S/C11H15NO3S/c1-3-8-5-6-9(16-8)11(15)12(4-2)7-10(13)14/h5-6H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyQFALWCLIORITEM-UHFFFAOYSA-N
XLogP1.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(5-ethylthiophene-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(5-ethylthiophene-2-carbonyl)amino]acetic acid (CID 61021518) is 2-[ethyl-(5-ethylthiophene-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(5-ethylthiophene-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(5-ethylthiophene-2-carbonyl)amino]acetic acid is CCc1ccc(C(=O)N(CC)CC(=O)O)s1.
What is the InChIKey of 2-[ethyl-(5-ethylthiophene-2-carbonyl)amino]acetic acid?
The InChIKey is QFALWCLIORITEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-3-8-5-6-9(16-8)11(15)12(4-2)7-10(13)14/h5-6H,3-4,7H2,1-2H3,(H,13,14).
What are the key properties of 2-[ethyl-(5-ethylthiophene-2-carbonyl)amino]acetic acid?
2-[ethyl-(5-ethylthiophene-2-carbonyl)amino]acetic acid has a molecular weight of 241.31 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(5-ethylthiophene-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 61021518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).