methyl 2-methyl-2-[(4-oxo-2-thiophen-3-ylpentanoyl)amino]propanoate

C14H19NO4S — CID 54319884

IUPACmethyl 2-methyl-2-[(4-oxo-2-thiophen-3-ylpentanoyl)amino]propanoate
SMILESCOC(=O)C(C)(C)NC(=O)C(CC(C)=O)c1ccsc1
InChIInChI=1S/C14H19NO4S/c1-9(16)7-11(10-5-6-20-8-10)12(17)15-14(2,3)13(18)19-4/h5-6,8,11H,7H2,1-4H3,(H,15,17)
InChIKeySQWMWSUSKDJEMU-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.88
Rot. Bonds6

About methyl 2-methyl-2-[(4-oxo-2-thiophen-3-ylpentanoyl)amino]propanoate

methyl 2-methyl-2-[(4-oxo-2-thiophen-3-ylpentanoyl)amino]propanoate (PubChem CID 54319884) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is methyl 2-methyl-2-[(4-oxo-2-thiophen-3-ylpentanoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(4-oxo-2-thiophen-3-ylpentanoyl)amino]propanoate
PubChem CID54319884
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Namemethyl 2-methyl-2-[(4-oxo-2-thiophen-3-ylpentanoyl)amino]propanoate
SMILESCOC(=O)C(C)(C)NC(=O)C(CC(C)=O)c1ccsc1
InChIInChI=1S/C14H19NO4S/c1-9(16)7-11(10-5-6-20-8-10)12(17)15-14(2,3)13(18)19-4/h5-6,8,11H,7H2,1-4H3,(H,15,17)
InChIKeySQWMWSUSKDJEMU-UHFFFAOYSA-N
XLogP1.88
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-2-[(4-oxo-2-thiophen-3-ylpentanoyl)amino]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-[(4-oxo-2-thiophen-3-ylpentanoyl)amino]propanoate?
The IUPAC name of methyl 2-methyl-2-[(4-oxo-2-thiophen-3-ylpentanoyl)amino]propanoate (CID 54319884) is methyl 2-methyl-2-[(4-oxo-2-thiophen-3-ylpentanoyl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[(4-oxo-2-thiophen-3-ylpentanoyl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[(4-oxo-2-thiophen-3-ylpentanoyl)amino]propanoate is COC(=O)C(C)(C)NC(=O)C(CC(C)=O)c1ccsc1.
What is the InChIKey of methyl 2-methyl-2-[(4-oxo-2-thiophen-3-ylpentanoyl)amino]propanoate?
The InChIKey is SQWMWSUSKDJEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-9(16)7-11(10-5-6-20-8-10)12(17)15-14(2,3)13(18)19-4/h5-6,8,11H,7H2,1-4H3,(H,15,17).
What are the key properties of methyl 2-methyl-2-[(4-oxo-2-thiophen-3-ylpentanoyl)amino]propanoate?
methyl 2-methyl-2-[(4-oxo-2-thiophen-3-ylpentanoyl)amino]propanoate has a molecular weight of 297.38 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(4-oxo-2-thiophen-3-ylpentanoyl)amino]propanoate is sourced from PubChem (CID 54319884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).