2-[2-acetamidoethyl(furan-3-ylsulfonyl)amino]propanoic acid

C11H16N2O6S — CID 120969003

IUPAC2-[2-acetamidoethyl(furan-3-ylsulfonyl)amino]propanoic acid
SMILESCC(=O)NCCN(C(C)C(=O)O)S(=O)(=O)c1ccoc1
InChIInChI=1S/C11H16N2O6S/c1-8(11(15)16)13(5-4-12-9(2)14)20(17,18)10-3-6-19-7-10/h3,6-8H,4-5H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyZMFKBGXOBPSZHN-UHFFFAOYSA-N
MW304.32 g/mol
LogP-0.12
Rot. Bonds7

About 2-[2-acetamidoethyl(furan-3-ylsulfonyl)amino]propanoic acid

2-[2-acetamidoethyl(furan-3-ylsulfonyl)amino]propanoic acid (PubChem CID 120969003) has the molecular formula C11H16N2O6S and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-[2-acetamidoethyl(furan-3-ylsulfonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[2-acetamidoethyl(furan-3-ylsulfonyl)amino]propanoic acid
PubChem CID120969003
Molecular FormulaC11H16N2O6S
Molecular Weight304.32 g/mol
Exact Mass304.07
IUPAC Name2-[2-acetamidoethyl(furan-3-ylsulfonyl)amino]propanoic acid
SMILESCC(=O)NCCN(C(C)C(=O)O)S(=O)(=O)c1ccoc1
InChIInChI=1S/C11H16N2O6S/c1-8(11(15)16)13(5-4-12-9(2)14)20(17,18)10-3-6-19-7-10/h3,6-8H,4-5H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyZMFKBGXOBPSZHN-UHFFFAOYSA-N
XLogP-0.12
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-acetamidoethyl(furan-3-ylsulfonyl)amino]propanoic acid?
The IUPAC name of 2-[2-acetamidoethyl(furan-3-ylsulfonyl)amino]propanoic acid (CID 120969003) is 2-[2-acetamidoethyl(furan-3-ylsulfonyl)amino]propanoic acid.
What is the SMILES notation for 2-[2-acetamidoethyl(furan-3-ylsulfonyl)amino]propanoic acid?
The canonical SMILES for 2-[2-acetamidoethyl(furan-3-ylsulfonyl)amino]propanoic acid is CC(=O)NCCN(C(C)C(=O)O)S(=O)(=O)c1ccoc1.
What is the InChIKey of 2-[2-acetamidoethyl(furan-3-ylsulfonyl)amino]propanoic acid?
The InChIKey is ZMFKBGXOBPSZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O6S/c1-8(11(15)16)13(5-4-12-9(2)14)20(17,18)10-3-6-19-7-10/h3,6-8H,4-5H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-[2-acetamidoethyl(furan-3-ylsulfonyl)amino]propanoic acid?
2-[2-acetamidoethyl(furan-3-ylsulfonyl)amino]propanoic acid has a molecular weight of 304.32 g/mol, XLogP of -0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-acetamidoethyl(furan-3-ylsulfonyl)amino]propanoic acid is sourced from PubChem (CID 120969003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).