3-[ethyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid

C11H16N2O3S — CID 55175060

IUPAC3-[ethyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)NCc1ccsc1
InChIInChI=1S/C11H16N2O3S/c1-2-13(5-3-10(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)
InChIKeyDNDJVJMASYWWAC-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.75
Rot. Bonds6

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

3-[ethyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid (PubChem CID 55175060) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-[ethyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid
PubChem CID55175060
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name3-[ethyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)NCc1ccsc1
InChIInChI=1S/C11H16N2O3S/c1-2-13(5-3-10(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)
InChIKeyDNDJVJMASYWWAC-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 3-[ethyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid (CID 55175060) is 3-[ethyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid is CCN(CCC(=O)O)C(=O)NCc1ccsc1.
What is the InChIKey of 3-[ethyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid?
The InChIKey is DNDJVJMASYWWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-2-13(5-3-10(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 3-[ethyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid?
3-[ethyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic 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 3-[ethyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 55175060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).