methyl 2-oxo-2-(thiophen-2-ylamino)acetate

C7H7NO3S — CID 115142140

IUPACmethyl 2-oxo-2-(thiophen-2-ylamino)acetate
SMILESCOC(=O)C(=O)Nc1cccs1
InChIInChI=1S/C7H7NO3S/c1-11-7(10)6(9)8-5-3-2-4-12-5/h2-4H,1H3,(H,8,9)
InChIKeyYMGAFIJPBIGTRW-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.86
Rot. Bonds1

About methyl 2-oxo-2-(thiophen-2-ylamino)acetate

methyl 2-oxo-2-(thiophen-2-ylamino)acetate (PubChem CID 115142140) has the molecular formula C7H7NO3S and a molecular weight of 185.20 g/mol. Its IUPAC name is methyl 2-oxo-2-(thiophen-2-ylamino)acetate.

Molecular Properties

Compound Namemethyl 2-oxo-2-(thiophen-2-ylamino)acetate
PubChem CID115142140
Molecular FormulaC7H7NO3S
Molecular Weight185.20 g/mol
Exact Mass185.01
IUPAC Namemethyl 2-oxo-2-(thiophen-2-ylamino)acetate
SMILESCOC(=O)C(=O)Nc1cccs1
InChIInChI=1S/C7H7NO3S/c1-11-7(10)6(9)8-5-3-2-4-12-5/h2-4H,1H3,(H,8,9)
InChIKeyYMGAFIJPBIGTRW-UHFFFAOYSA-N
XLogP0.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-2-(thiophen-2-ylamino)acetate?
The IUPAC name of methyl 2-oxo-2-(thiophen-2-ylamino)acetate (CID 115142140) is methyl 2-oxo-2-(thiophen-2-ylamino)acetate.
What is the SMILES notation for methyl 2-oxo-2-(thiophen-2-ylamino)acetate?
The canonical SMILES for methyl 2-oxo-2-(thiophen-2-ylamino)acetate is COC(=O)C(=O)Nc1cccs1.
What is the InChIKey of methyl 2-oxo-2-(thiophen-2-ylamino)acetate?
The InChIKey is YMGAFIJPBIGTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3S/c1-11-7(10)6(9)8-5-3-2-4-12-5/h2-4H,1H3,(H,8,9).
What are the key properties of methyl 2-oxo-2-(thiophen-2-ylamino)acetate?
methyl 2-oxo-2-(thiophen-2-ylamino)acetate has a molecular weight of 185.20 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-2-(thiophen-2-ylamino)acetate is sourced from PubChem (CID 115142140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).