2-methyl-3-[(5-methyl-2-pyridinyl)-(thiophene-2-carbonyl)amino]propanoic acid

C15H16N2O3S — CID 82321548

IUPAC2-methyl-3-[(5-methyl-2-pyridinyl)-(thiophene-2-carbonyl)amino]propanoic acid
SMILESCc1ccc(N(CC(C)C(=O)O)C(=O)c2cccs2)nc1
InChIInChI=1S/C15H16N2O3S/c1-10-5-6-13(16-8-10)17(9-11(2)15(19)20)14(18)12-4-3-7-21-12/h3-8,11H,9H2,1-2H3,(H,19,20)
InChIKeyZWEPHYAAFMUUFH-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.82
Rot. Bonds5

About 2-methyl-3-[(5-methyl-2-pyridinyl)-(thiophene-2-carbonyl)amino]propanoic acid

2-methyl-3-[(5-methyl-2-pyridinyl)-(thiophene-2-carbonyl)amino]propanoic acid (PubChem CID 82321548) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-methyl-3-[(5-methyl-2-pyridinyl)-(thiophene-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(5-methyl-2-pyridinyl)-(thiophene-2-carbonyl)amino]propanoic acid
PubChem CID82321548
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-methyl-3-[(5-methyl-2-pyridinyl)-(thiophene-2-carbonyl)amino]propanoic acid
SMILESCc1ccc(N(CC(C)C(=O)O)C(=O)c2cccs2)nc1
InChIInChI=1S/C15H16N2O3S/c1-10-5-6-13(16-8-10)17(9-11(2)15(19)20)14(18)12-4-3-7-21-12/h3-8,11H,9H2,1-2H3,(H,19,20)
InChIKeyZWEPHYAAFMUUFH-UHFFFAOYSA-N
XLogP2.82
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(5-methyl-2-pyridinyl)-(thiophene-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[(5-methyl-2-pyridinyl)-(thiophene-2-carbonyl)amino]propanoic acid (CID 82321548) is 2-methyl-3-[(5-methyl-2-pyridinyl)-(thiophene-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(5-methyl-2-pyridinyl)-(thiophene-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(5-methyl-2-pyridinyl)-(thiophene-2-carbonyl)amino]propanoic acid is Cc1ccc(N(CC(C)C(=O)O)C(=O)c2cccs2)nc1.
What is the InChIKey of 2-methyl-3-[(5-methyl-2-pyridinyl)-(thiophene-2-carbonyl)amino]propanoic acid?
The InChIKey is ZWEPHYAAFMUUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10-5-6-13(16-8-10)17(9-11(2)15(19)20)14(18)12-4-3-7-21-12/h3-8,11H,9H2,1-2H3,(H,19,20).
What are the key properties of 2-methyl-3-[(5-methyl-2-pyridinyl)-(thiophene-2-carbonyl)amino]propanoic acid?
2-methyl-3-[(5-methyl-2-pyridinyl)-(thiophene-2-carbonyl)amino]propanoic acid has a molecular weight of 304.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(5-methyl-2-pyridinyl)-(thiophene-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 82321548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).