2-[methyl(thiophene-2-carbonyl)amino]acetic acid

C8H9NO3S — CID 6422196

IUPAC2-[methyl(thiophene-2-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1cccs1
InChIInChI=1S/C8H9NO3S/c1-9(5-7(10)11)8(12)6-3-2-4-13-6/h2-4H,5H2,1H3,(H,10,11)
InChIKeyNRJFXOJRCYPZOT-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.90
Rot. Bonds3

About 2-[methyl(thiophene-2-carbonyl)amino]acetic acid

2-[methyl(thiophene-2-carbonyl)amino]acetic acid (PubChem CID 6422196) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-[methyl(thiophene-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(thiophene-2-carbonyl)amino]acetic acid
PubChem CID6422196
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name2-[methyl(thiophene-2-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1cccs1
InChIInChI=1S/C8H9NO3S/c1-9(5-7(10)11)8(12)6-3-2-4-13-6/h2-4H,5H2,1H3,(H,10,11)
InChIKeyNRJFXOJRCYPZOT-UHFFFAOYSA-N
XLogP0.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophene-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[methyl(thiophene-2-carbonyl)amino]acetic acid (CID 6422196) is 2-[methyl(thiophene-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(thiophene-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(thiophene-2-carbonyl)amino]acetic acid is CN(CC(=O)O)C(=O)c1cccs1.
What is the InChIKey of 2-[methyl(thiophene-2-carbonyl)amino]acetic acid?
The InChIKey is NRJFXOJRCYPZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c1-9(5-7(10)11)8(12)6-3-2-4-13-6/h2-4H,5H2,1H3,(H,10,11).
What are the key properties of 2-[methyl(thiophene-2-carbonyl)amino]acetic acid?
2-[methyl(thiophene-2-carbonyl)amino]acetic acid has a molecular weight of 199.23 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophene-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 6422196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).