2-methyl-2-[methyl-(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid

C14H21NO3S — CID 62818470

IUPAC2-methyl-2-[methyl-(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid
SMILESCCCc1cc(C(=O)N(C)C(C)(C)C(=O)O)sc1C
InChIInChI=1S/C14H21NO3S/c1-6-7-10-8-11(19-9(10)2)12(16)15(5)14(3,4)13(17)18/h8H,6-7H2,1-5H3,(H,17,18)
InChIKeyGEPMVROTTOAQKD-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.94
Rot. Bonds5

About 2-methyl-2-[methyl-(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid

2-methyl-2-[methyl-(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid (PubChem CID 62818470) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-methyl-2-[methyl-(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid
PubChem CID62818470
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name2-methyl-2-[methyl-(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid
SMILESCCCc1cc(C(=O)N(C)C(C)(C)C(=O)O)sc1C
InChIInChI=1S/C14H21NO3S/c1-6-7-10-8-11(19-9(10)2)12(16)15(5)14(3,4)13(17)18/h8H,6-7H2,1-5H3,(H,17,18)
InChIKeyGEPMVROTTOAQKD-UHFFFAOYSA-N
XLogP2.94
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-[methyl-(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid 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 2-methyl-2-[methyl-(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid (CID 62818470) is 2-methyl-2-[methyl-(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid is CCCc1cc(C(=O)N(C)C(C)(C)C(=O)O)sc1C.
What is the InChIKey of 2-methyl-2-[methyl-(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid?
The InChIKey is GEPMVROTTOAQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-6-7-10-8-11(19-9(10)2)12(16)15(5)14(3,4)13(17)18/h8H,6-7H2,1-5H3,(H,17,18).
What are the key properties of 2-methyl-2-[methyl-(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid?
2-methyl-2-[methyl-(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid has a molecular weight of 283.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 62818470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).