2-[2-methoxyethyl(2-sulfamoylethylcarbamoyl)amino]acetic acid

C8H17N3O6S — CID 79269665

IUPAC2-[2-methoxyethyl(2-sulfamoylethylcarbamoyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NCCS(N)(=O)=O
InChIInChI=1S/C8H17N3O6S/c1-17-4-3-11(6-7(12)13)8(14)10-2-5-18(9,15)16/h2-6H2,1H3,(H,10,14)(H,12,13)(H2,9,15,16)
InChIKeyRNPLFBWIWWUIEV-UHFFFAOYSA-N
MW283.31 g/mol
LogP-1.98
Rot. Bonds8

About 2-[2-methoxyethyl(2-sulfamoylethylcarbamoyl)amino]acetic acid

2-[2-methoxyethyl(2-sulfamoylethylcarbamoyl)amino]acetic acid (PubChem CID 79269665) has the molecular formula C8H17N3O6S and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-[2-methoxyethyl(2-sulfamoylethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(2-sulfamoylethylcarbamoyl)amino]acetic acid
PubChem CID79269665
Molecular FormulaC8H17N3O6S
Molecular Weight283.31 g/mol
Exact Mass283.08
IUPAC Name2-[2-methoxyethyl(2-sulfamoylethylcarbamoyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NCCS(N)(=O)=O
InChIInChI=1S/C8H17N3O6S/c1-17-4-3-11(6-7(12)13)8(14)10-2-5-18(9,15)16/h2-6H2,1H3,(H,10,14)(H,12,13)(H2,9,15,16)
InChIKeyRNPLFBWIWWUIEV-UHFFFAOYSA-N
XLogP-1.98
TPSA139.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 5-1.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(2-sulfamoylethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl(2-sulfamoylethylcarbamoyl)amino]acetic acid (CID 79269665) is 2-[2-methoxyethyl(2-sulfamoylethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl(2-sulfamoylethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl(2-sulfamoylethylcarbamoyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)NCCS(N)(=O)=O.
What is the InChIKey of 2-[2-methoxyethyl(2-sulfamoylethylcarbamoyl)amino]acetic acid?
The InChIKey is RNPLFBWIWWUIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O6S/c1-17-4-3-11(6-7(12)13)8(14)10-2-5-18(9,15)16/h2-6H2,1H3,(H,10,14)(H,12,13)(H2,9,15,16).
What are the key properties of 2-[2-methoxyethyl(2-sulfamoylethylcarbamoyl)amino]acetic acid?
2-[2-methoxyethyl(2-sulfamoylethylcarbamoyl)amino]acetic acid has a molecular weight of 283.31 g/mol, XLogP of -1.98, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(2-sulfamoylethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 79269665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).