methyl 2-(thiophene-3-carbonylamino)acetate

C8H9NO3S — CID 19427295

IUPACmethyl 2-(thiophene-3-carbonylamino)acetate
SMILESCOC(=O)CNC(=O)c1ccsc1
InChIInChI=1S/C8H9NO3S/c1-12-7(10)4-9-8(11)6-2-3-13-5-6/h2-3,5H,4H2,1H3,(H,9,11)
InChIKeyNDOJKOZXIQJOEA-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.65
Rot. Bonds3

About methyl 2-(thiophene-3-carbonylamino)acetate

methyl 2-(thiophene-3-carbonylamino)acetate (PubChem CID 19427295) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is methyl 2-(thiophene-3-carbonylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(thiophene-3-carbonylamino)acetate
PubChem CID19427295
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Namemethyl 2-(thiophene-3-carbonylamino)acetate
SMILESCOC(=O)CNC(=O)c1ccsc1
InChIInChI=1S/C8H9NO3S/c1-12-7(10)4-9-8(11)6-2-3-13-5-6/h2-3,5H,4H2,1H3,(H,9,11)
InChIKeyNDOJKOZXIQJOEA-UHFFFAOYSA-N
XLogP0.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(thiophene-3-carbonylamino)acetate?
The IUPAC name of methyl 2-(thiophene-3-carbonylamino)acetate (CID 19427295) is methyl 2-(thiophene-3-carbonylamino)acetate.
What is the SMILES notation for methyl 2-(thiophene-3-carbonylamino)acetate?
The canonical SMILES for methyl 2-(thiophene-3-carbonylamino)acetate is COC(=O)CNC(=O)c1ccsc1.
What is the InChIKey of methyl 2-(thiophene-3-carbonylamino)acetate?
The InChIKey is NDOJKOZXIQJOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c1-12-7(10)4-9-8(11)6-2-3-13-5-6/h2-3,5H,4H2,1H3,(H,9,11).
What are the key properties of methyl 2-(thiophene-3-carbonylamino)acetate?
methyl 2-(thiophene-3-carbonylamino)acetate has a molecular weight of 199.23 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(thiophene-3-carbonylamino)acetate is sourced from PubChem (CID 19427295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).