2-methyl-3-[methyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid

C11H16N2O3S — CID 63244143

IUPAC2-methyl-3-[methyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid
SMILESCC(CN(C)C(=O)NCc1ccsc1)C(=O)O
InChIInChI=1S/C11H16N2O3S/c1-8(10(14)15)6-13(2)11(16)12-5-9-3-4-17-7-9/h3-4,7-8H,5-6H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyMVUXYKYSXPWSIU-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.61
Rot. Bonds5

About 2-methyl-3-[methyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid

2-methyl-3-[methyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid (PubChem CID 63244143) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-methyl-3-[methyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid
PubChem CID63244143
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-methyl-3-[methyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid
SMILESCC(CN(C)C(=O)NCc1ccsc1)C(=O)O
InChIInChI=1S/C11H16N2O3S/c1-8(10(14)15)6-13(2)11(16)12-5-9-3-4-17-7-9/h3-4,7-8H,5-6H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyMVUXYKYSXPWSIU-UHFFFAOYSA-N
XLogP1.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid (CID 63244143) is 2-methyl-3-[methyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid is CC(CN(C)C(=O)NCc1ccsc1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid?
The InChIKey is MVUXYKYSXPWSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-8(10(14)15)6-13(2)11(16)12-5-9-3-4-17-7-9/h3-4,7-8H,5-6H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 2-methyl-3-[methyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid?
2-methyl-3-[methyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid has a molecular weight of 256.33 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 63244143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).