methyl 2-methyl-2-(thiophene-2-carbonylamino)propanoate

C10H13NO3S — CID 973369

IUPACmethyl 2-methyl-2-(thiophene-2-carbonylamino)propanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1cccs1
InChIInChI=1S/C10H13NO3S/c1-10(2,9(13)14-3)11-8(12)7-5-4-6-15-7/h4-6H,1-3H3,(H,11,12)
InChIKeyHOMHZUCEIKGEOR-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.43
Rot. Bonds3

About methyl 2-methyl-2-(thiophene-2-carbonylamino)propanoate

methyl 2-methyl-2-(thiophene-2-carbonylamino)propanoate (PubChem CID 973369) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is methyl 2-methyl-2-(thiophene-2-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(thiophene-2-carbonylamino)propanoate
PubChem CID973369
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Namemethyl 2-methyl-2-(thiophene-2-carbonylamino)propanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1cccs1
InChIInChI=1S/C10H13NO3S/c1-10(2,9(13)14-3)11-8(12)7-5-4-6-15-7/h4-6H,1-3H3,(H,11,12)
InChIKeyHOMHZUCEIKGEOR-UHFFFAOYSA-N
XLogP1.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

Analyze methyl 2-methyl-2-(thiophene-2-carbonylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(thiophene-2-carbonylamino)propanoate?
The IUPAC name of methyl 2-methyl-2-(thiophene-2-carbonylamino)propanoate (CID 973369) is methyl 2-methyl-2-(thiophene-2-carbonylamino)propanoate.
What is the SMILES notation for methyl 2-methyl-2-(thiophene-2-carbonylamino)propanoate?
The canonical SMILES for methyl 2-methyl-2-(thiophene-2-carbonylamino)propanoate is COC(=O)C(C)(C)NC(=O)c1cccs1.
What is the InChIKey of methyl 2-methyl-2-(thiophene-2-carbonylamino)propanoate?
The InChIKey is HOMHZUCEIKGEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-10(2,9(13)14-3)11-8(12)7-5-4-6-15-7/h4-6H,1-3H3,(H,11,12).
What are the key properties of methyl 2-methyl-2-(thiophene-2-carbonylamino)propanoate?
methyl 2-methyl-2-(thiophene-2-carbonylamino)propanoate has a molecular weight of 227.28 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(thiophene-2-carbonylamino)propanoate is sourced from PubChem (CID 973369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).