3-[ethyl(methoxycarbonylsulfamoyl)amino]-2-methylpropanoic acid

C8H16N2O6S — CID 114462544

IUPAC3-[ethyl(methoxycarbonylsulfamoyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)S(=O)(=O)NC(=O)OC
InChIInChI=1S/C8H16N2O6S/c1-4-10(5-6(2)7(11)12)17(14,15)9-8(13)16-3/h6H,4-5H2,1-3H3,(H,9,13)(H,11,12)
InChIKeyOKRDJLHZKYQYCY-UHFFFAOYSA-N
MW268.29 g/mol
LogP-0.37
Rot. Bonds6

About 3-[ethyl(methoxycarbonylsulfamoyl)amino]-2-methylpropanoic acid

3-[ethyl(methoxycarbonylsulfamoyl)amino]-2-methylpropanoic acid (PubChem CID 114462544) has the molecular formula C8H16N2O6S and a molecular weight of 268.29 g/mol. Its IUPAC name is 3-[ethyl(methoxycarbonylsulfamoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl(methoxycarbonylsulfamoyl)amino]-2-methylpropanoic acid
PubChem CID114462544
Molecular FormulaC8H16N2O6S
Molecular Weight268.29 g/mol
Exact Mass268.07
IUPAC Name3-[ethyl(methoxycarbonylsulfamoyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)S(=O)(=O)NC(=O)OC
InChIInChI=1S/C8H16N2O6S/c1-4-10(5-6(2)7(11)12)17(14,15)9-8(13)16-3/h6H,4-5H2,1-3H3,(H,9,13)(H,11,12)
InChIKeyOKRDJLHZKYQYCY-UHFFFAOYSA-N
XLogP-0.37
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 ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(methoxycarbonylsulfamoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl(methoxycarbonylsulfamoyl)amino]-2-methylpropanoic acid (CID 114462544) is 3-[ethyl(methoxycarbonylsulfamoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl(methoxycarbonylsulfamoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl(methoxycarbonylsulfamoyl)amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)S(=O)(=O)NC(=O)OC.
What is the InChIKey of 3-[ethyl(methoxycarbonylsulfamoyl)amino]-2-methylpropanoic acid?
The InChIKey is OKRDJLHZKYQYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O6S/c1-4-10(5-6(2)7(11)12)17(14,15)9-8(13)16-3/h6H,4-5H2,1-3H3,(H,9,13)(H,11,12).
What are the key properties of 3-[ethyl(methoxycarbonylsulfamoyl)amino]-2-methylpropanoic acid?
3-[ethyl(methoxycarbonylsulfamoyl)amino]-2-methylpropanoic acid has a molecular weight of 268.29 g/mol, XLogP of -0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(methoxycarbonylsulfamoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 114462544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).