4-[methyl(thiophen-3-ylmethylcarbamoyl)amino]butanoic acid

C11H16N2O3S — CID 63244087

IUPAC4-[methyl(thiophen-3-ylmethylcarbamoyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)NCc1ccsc1
InChIInChI=1S/C11H16N2O3S/c1-13(5-2-3-10(14)15)11(16)12-7-9-4-6-17-8-9/h4,6,8H,2-3,5,7H2,1H3,(H,12,16)(H,14,15)
InChIKeyLWNSODJGCVFEAE-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.75
Rot. Bonds6

About 4-[methyl(thiophen-3-ylmethylcarbamoyl)amino]butanoic acid

4-[methyl(thiophen-3-ylmethylcarbamoyl)amino]butanoic acid (PubChem CID 63244087) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-[methyl(thiophen-3-ylmethylcarbamoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(thiophen-3-ylmethylcarbamoyl)amino]butanoic acid
PubChem CID63244087
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name4-[methyl(thiophen-3-ylmethylcarbamoyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)NCc1ccsc1
InChIInChI=1S/C11H16N2O3S/c1-13(5-2-3-10(14)15)11(16)12-7-9-4-6-17-8-9/h4,6,8H,2-3,5,7H2,1H3,(H,12,16)(H,14,15)
InChIKeyLWNSODJGCVFEAE-UHFFFAOYSA-N
XLogP1.75
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(thiophen-3-ylmethylcarbamoyl)amino]butanoic acid?
The IUPAC name of 4-[methyl(thiophen-3-ylmethylcarbamoyl)amino]butanoic acid (CID 63244087) is 4-[methyl(thiophen-3-ylmethylcarbamoyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(thiophen-3-ylmethylcarbamoyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(thiophen-3-ylmethylcarbamoyl)amino]butanoic acid is CN(CCCC(=O)O)C(=O)NCc1ccsc1.
What is the InChIKey of 4-[methyl(thiophen-3-ylmethylcarbamoyl)amino]butanoic acid?
The InChIKey is LWNSODJGCVFEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-13(5-2-3-10(14)15)11(16)12-7-9-4-6-17-8-9/h4,6,8H,2-3,5,7H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 4-[methyl(thiophen-3-ylmethylcarbamoyl)amino]butanoic acid?
4-[methyl(thiophen-3-ylmethylcarbamoyl)amino]butanoic acid has a molecular weight of 256.33 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(thiophen-3-ylmethylcarbamoyl)amino]butanoic acid is sourced from PubChem (CID 63244087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).