2-[ethoxycarbonylsulfamoyl(propan-2-yl)amino]acetic acid

C8H16N2O6S — CID 114462166

IUPAC2-[ethoxycarbonylsulfamoyl(propan-2-yl)amino]acetic acid
SMILESCCOC(=O)NS(=O)(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C8H16N2O6S/c1-4-16-8(13)9-17(14,15)10(6(2)3)5-7(11)12/h6H,4-5H2,1-3H3,(H,9,13)(H,11,12)
InChIKeyWCWKOIIPQZMUHQ-UHFFFAOYSA-N
MW268.29 g/mol
LogP-0.23
Rot. Bonds6

About 2-[ethoxycarbonylsulfamoyl(propan-2-yl)amino]acetic acid

2-[ethoxycarbonylsulfamoyl(propan-2-yl)amino]acetic acid (PubChem CID 114462166) has the molecular formula C8H16N2O6S and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-[ethoxycarbonylsulfamoyl(propan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethoxycarbonylsulfamoyl(propan-2-yl)amino]acetic acid
PubChem CID114462166
Molecular FormulaC8H16N2O6S
Molecular Weight268.29 g/mol
Exact Mass268.07
IUPAC Name2-[ethoxycarbonylsulfamoyl(propan-2-yl)amino]acetic acid
SMILESCCOC(=O)NS(=O)(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C8H16N2O6S/c1-4-16-8(13)9-17(14,15)10(6(2)3)5-7(11)12/h6H,4-5H2,1-3H3,(H,9,13)(H,11,12)
InChIKeyWCWKOIIPQZMUHQ-UHFFFAOYSA-N
XLogP-0.23
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethoxycarbonylsulfamoyl(propan-2-yl)amino]acetic acid?
The IUPAC name of 2-[ethoxycarbonylsulfamoyl(propan-2-yl)amino]acetic acid (CID 114462166) is 2-[ethoxycarbonylsulfamoyl(propan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[ethoxycarbonylsulfamoyl(propan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[ethoxycarbonylsulfamoyl(propan-2-yl)amino]acetic acid is CCOC(=O)NS(=O)(=O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[ethoxycarbonylsulfamoyl(propan-2-yl)amino]acetic acid?
The InChIKey is WCWKOIIPQZMUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O6S/c1-4-16-8(13)9-17(14,15)10(6(2)3)5-7(11)12/h6H,4-5H2,1-3H3,(H,9,13)(H,11,12).
What are the key properties of 2-[ethoxycarbonylsulfamoyl(propan-2-yl)amino]acetic acid?
2-[ethoxycarbonylsulfamoyl(propan-2-yl)amino]acetic acid has a molecular weight of 268.29 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxycarbonylsulfamoyl(propan-2-yl)amino]acetic acid is sourced from PubChem (CID 114462166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).