4-[ethoxycarbonylsulfamoyl(ethyl)amino]oxolane-3-carboxylic acid

C10H18N2O7S — CID 114462823

IUPAC4-[ethoxycarbonylsulfamoyl(ethyl)amino]oxolane-3-carboxylic acid
SMILESCCOC(=O)NS(=O)(=O)N(CC)C1COCC1C(=O)O
InChIInChI=1S/C10H18N2O7S/c1-3-12(8-6-18-5-7(8)9(13)14)20(16,17)11-10(15)19-4-2/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyGHCBHFZPFSRJMA-UHFFFAOYSA-N
MW310.33 g/mol
LogP-0.60
Rot. Bonds6

About 4-[ethoxycarbonylsulfamoyl(ethyl)amino]oxolane-3-carboxylic acid

4-[ethoxycarbonylsulfamoyl(ethyl)amino]oxolane-3-carboxylic acid (PubChem CID 114462823) has the molecular formula C10H18N2O7S and a molecular weight of 310.33 g/mol. Its IUPAC name is 4-[ethoxycarbonylsulfamoyl(ethyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethoxycarbonylsulfamoyl(ethyl)amino]oxolane-3-carboxylic acid
PubChem CID114462823
Molecular FormulaC10H18N2O7S
Molecular Weight310.33 g/mol
Exact Mass310.08
IUPAC Name4-[ethoxycarbonylsulfamoyl(ethyl)amino]oxolane-3-carboxylic acid
SMILESCCOC(=O)NS(=O)(=O)N(CC)C1COCC1C(=O)O
InChIInChI=1S/C10H18N2O7S/c1-3-12(8-6-18-5-7(8)9(13)14)20(16,17)11-10(15)19-4-2/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyGHCBHFZPFSRJMA-UHFFFAOYSA-N
XLogP-0.60
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[ethyl(2-methylpropylsulfonyl)amino]oxolane-3-carboxylic acid
CID 66247631
4-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]oxolane-3-carboxylic acid
CID 66245265
4-[diethylsulfamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253595
4-[propyl(propylsulfonyl)amino]oxolane-3-carboxylic acid
CID 66253214
4-[ethyl-(4-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 66245653
4-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]oxolane-3-carboxylic acid
CID 66245064
4-[2-methoxyethylsulfonyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252056
4-[ethyl-(1-methylpyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid
CID 66247039
4-[ethyl(methylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245135
4-[(2,5-dichlorothiophen-3-yl)sulfonyl-ethylamino]oxolane-3-carboxylic acid
CID 66246843
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
CID 66267848
4-[(2-acetamidoacetyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245449

Frequently Asked Questions

What is the IUPAC name of 4-[ethoxycarbonylsulfamoyl(ethyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethoxycarbonylsulfamoyl(ethyl)amino]oxolane-3-carboxylic acid (CID 114462823) is 4-[ethoxycarbonylsulfamoyl(ethyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethoxycarbonylsulfamoyl(ethyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethoxycarbonylsulfamoyl(ethyl)amino]oxolane-3-carboxylic acid is CCOC(=O)NS(=O)(=O)N(CC)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethoxycarbonylsulfamoyl(ethyl)amino]oxolane-3-carboxylic acid?
The InChIKey is GHCBHFZPFSRJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O7S/c1-3-12(8-6-18-5-7(8)9(13)14)20(16,17)11-10(15)19-4-2/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 4-[ethoxycarbonylsulfamoyl(ethyl)amino]oxolane-3-carboxylic acid?
4-[ethoxycarbonylsulfamoyl(ethyl)amino]oxolane-3-carboxylic acid has a molecular weight of 310.33 g/mol, XLogP of -0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethoxycarbonylsulfamoyl(ethyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 114462823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).