2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]sulfamoyl]propanoic acid

C13H19NO5S — CID 61455218

IUPAC2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]sulfamoyl]propanoic acid
SMILESCC1CC1c1ccc(CN(C)S(=O)(=O)C(C)C(=O)O)o1
InChIInChI=1S/C13H19NO5S/c1-8-6-11(8)12-5-4-10(19-12)7-14(3)20(17,18)9(2)13(15)16/h4-5,8-9,11H,6-7H2,1-3H3,(H,15,16)
InChIKeyQGRXIJSWGZEDAG-UHFFFAOYSA-N
MW301.36 g/mol
LogP1.64
Rot. Bonds6

About 2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]sulfamoyl]propanoic acid

2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]sulfamoyl]propanoic acid (PubChem CID 61455218) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]sulfamoyl]propanoic acid
PubChem CID61455218
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Name2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]sulfamoyl]propanoic acid
SMILESCC1CC1c1ccc(CN(C)S(=O)(=O)C(C)C(=O)O)o1
InChIInChI=1S/C13H19NO5S/c1-8-6-11(8)12-5-4-10(19-12)7-14(3)20(17,18)9(2)13(15)16/h4-5,8-9,11H,6-7H2,1-3H3,(H,15,16)
InChIKeyQGRXIJSWGZEDAG-UHFFFAOYSA-N
XLogP1.64
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]sulfamoyl]propanoic acid?
The IUPAC name of 2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]sulfamoyl]propanoic acid (CID 61455218) is 2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]sulfamoyl]propanoic acid?
The canonical SMILES for 2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]sulfamoyl]propanoic acid is CC1CC1c1ccc(CN(C)S(=O)(=O)C(C)C(=O)O)o1.
What is the InChIKey of 2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]sulfamoyl]propanoic acid?
The InChIKey is QGRXIJSWGZEDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-8-6-11(8)12-5-4-10(19-12)7-14(3)20(17,18)9(2)13(15)16/h4-5,8-9,11H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]sulfamoyl]propanoic acid?
2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]sulfamoyl]propanoic acid has a molecular weight of 301.36 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]sulfamoyl]propanoic acid is sourced from PubChem (CID 61455218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).