ethyl 2-(thiophene-3-carbonylamino)propanoate

C10H13NO3S — CID 47368250

IUPACethyl 2-(thiophene-3-carbonylamino)propanoate
SMILESCCOC(=O)C(C)NC(=O)c1ccsc1
InChIInChI=1S/C10H13NO3S/c1-3-14-10(13)7(2)11-9(12)8-4-5-15-6-8/h4-7H,3H2,1-2H3,(H,11,12)
InChIKeyWCWXMOXHBADVDX-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.43
Rot. Bonds4

About ethyl 2-(thiophene-3-carbonylamino)propanoate

ethyl 2-(thiophene-3-carbonylamino)propanoate (PubChem CID 47368250) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is ethyl 2-(thiophene-3-carbonylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(thiophene-3-carbonylamino)propanoate
PubChem CID47368250
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Nameethyl 2-(thiophene-3-carbonylamino)propanoate
SMILESCCOC(=O)C(C)NC(=O)c1ccsc1
InChIInChI=1S/C10H13NO3S/c1-3-14-10(13)7(2)11-9(12)8-4-5-15-6-8/h4-7H,3H2,1-2H3,(H,11,12)
InChIKeyWCWXMOXHBADVDX-UHFFFAOYSA-N
XLogP1.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(thiophene-3-carbonylamino)propanoate?
The IUPAC name of ethyl 2-(thiophene-3-carbonylamino)propanoate (CID 47368250) is ethyl 2-(thiophene-3-carbonylamino)propanoate.
What is the SMILES notation for ethyl 2-(thiophene-3-carbonylamino)propanoate?
The canonical SMILES for ethyl 2-(thiophene-3-carbonylamino)propanoate is CCOC(=O)C(C)NC(=O)c1ccsc1.
What is the InChIKey of ethyl 2-(thiophene-3-carbonylamino)propanoate?
The InChIKey is WCWXMOXHBADVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-3-14-10(13)7(2)11-9(12)8-4-5-15-6-8/h4-7H,3H2,1-2H3,(H,11,12).
What are the key properties of ethyl 2-(thiophene-3-carbonylamino)propanoate?
ethyl 2-(thiophene-3-carbonylamino)propanoate has a molecular weight of 227.28 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(thiophene-3-carbonylamino)propanoate is sourced from PubChem (CID 47368250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).