2-methyl-3-[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]propanoic acid

C11H16N2O6S — CID 119228618

IUPAC2-methyl-3-[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]propanoic acid
SMILESCc1oc(C(=O)N(C)CC(C)C(=O)O)cc1S(N)(=O)=O
InChIInChI=1S/C11H16N2O6S/c1-6(11(15)16)5-13(3)10(14)8-4-9(7(2)19-8)20(12,17)18/h4,6H,5H2,1-3H3,(H,15,16)(H2,12,17,18)
InChIKeyYRGOUHOUPKUWTG-UHFFFAOYSA-N
MW304.32 g/mol
LogP0.03
Rot. Bonds5

About 2-methyl-3-[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]propanoic acid

2-methyl-3-[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]propanoic acid (PubChem CID 119228618) has the molecular formula C11H16N2O6S and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-methyl-3-[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]propanoic acid
PubChem CID119228618
Molecular FormulaC11H16N2O6S
Molecular Weight304.32 g/mol
Exact Mass304.07
IUPAC Name2-methyl-3-[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]propanoic acid
SMILESCc1oc(C(=O)N(C)CC(C)C(=O)O)cc1S(N)(=O)=O
InChIInChI=1S/C11H16N2O6S/c1-6(11(15)16)5-13(3)10(14)8-4-9(7(2)19-8)20(12,17)18/h4,6H,5H2,1-3H3,(H,15,16)(H2,12,17,18)
InChIKeyYRGOUHOUPKUWTG-UHFFFAOYSA-N
XLogP0.03
TPSA130.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]propanoic acid (CID 119228618) is 2-methyl-3-[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]propanoic acid is Cc1oc(C(=O)N(C)CC(C)C(=O)O)cc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-3-[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]propanoic acid?
The InChIKey is YRGOUHOUPKUWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O6S/c1-6(11(15)16)5-13(3)10(14)8-4-9(7(2)19-8)20(12,17)18/h4,6H,5H2,1-3H3,(H,15,16)(H2,12,17,18).
What are the key properties of 2-methyl-3-[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]propanoic acid?
2-methyl-3-[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]propanoic acid has a molecular weight of 304.32 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119228618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).