methyl 3-methyl-2-(thiophene-3-carbonylamino)butanoate

C11H15NO3S — CID 43422585

IUPACmethyl 3-methyl-2-(thiophene-3-carbonylamino)butanoate
SMILESCOC(=O)C(NC(=O)c1ccsc1)C(C)C
InChIInChI=1S/C11H15NO3S/c1-7(2)9(11(14)15-3)12-10(13)8-4-5-16-6-8/h4-7,9H,1-3H3,(H,12,13)
InChIKeyNWDAVKUZLZVTFD-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.68
Rot. Bonds4

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

methyl 3-methyl-2-(thiophene-3-carbonylamino)butanoate (PubChem CID 43422585) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is methyl 3-methyl-2-(thiophene-3-carbonylamino)butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-(thiophene-3-carbonylamino)butanoate
PubChem CID43422585
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Namemethyl 3-methyl-2-(thiophene-3-carbonylamino)butanoate
SMILESCOC(=O)C(NC(=O)c1ccsc1)C(C)C
InChIInChI=1S/C11H15NO3S/c1-7(2)9(11(14)15-3)12-10(13)8-4-5-16-6-8/h4-7,9H,1-3H3,(H,12,13)
InChIKeyNWDAVKUZLZVTFD-UHFFFAOYSA-N
XLogP1.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-(thiophene-3-carbonylamino)butanoate?
The IUPAC name of methyl 3-methyl-2-(thiophene-3-carbonylamino)butanoate (CID 43422585) is methyl 3-methyl-2-(thiophene-3-carbonylamino)butanoate.
What is the SMILES notation for methyl 3-methyl-2-(thiophene-3-carbonylamino)butanoate?
The canonical SMILES for methyl 3-methyl-2-(thiophene-3-carbonylamino)butanoate is COC(=O)C(NC(=O)c1ccsc1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-(thiophene-3-carbonylamino)butanoate?
The InChIKey is NWDAVKUZLZVTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-7(2)9(11(14)15-3)12-10(13)8-4-5-16-6-8/h4-7,9H,1-3H3,(H,12,13).
What are the key properties of methyl 3-methyl-2-(thiophene-3-carbonylamino)butanoate?
methyl 3-methyl-2-(thiophene-3-carbonylamino)butanoate has a molecular weight of 241.31 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-(thiophene-3-carbonylamino)butanoate is sourced from PubChem (CID 43422585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).