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

C7H15N3O5S — CID 61203012

IUPAC2-[ethyl(2-sulfamoylethylcarbamoyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)NCCS(N)(=O)=O
InChIInChI=1S/C7H15N3O5S/c1-2-10(5-6(11)12)7(13)9-3-4-16(8,14)15/h2-5H2,1H3,(H,9,13)(H,11,12)(H2,8,14,15)
InChIKeyQUVWMPVEIWVVFV-UHFFFAOYSA-N
MW253.28 g/mol
LogP-1.61
Rot. Bonds6

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

2-[ethyl(2-sulfamoylethylcarbamoyl)amino]acetic acid (PubChem CID 61203012) has the molecular formula C7H15N3O5S and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-[ethyl(2-sulfamoylethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(2-sulfamoylethylcarbamoyl)amino]acetic acid
PubChem CID61203012
Molecular FormulaC7H15N3O5S
Molecular Weight253.28 g/mol
Exact Mass253.07
IUPAC Name2-[ethyl(2-sulfamoylethylcarbamoyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)NCCS(N)(=O)=O
InChIInChI=1S/C7H15N3O5S/c1-2-10(5-6(11)12)7(13)9-3-4-16(8,14)15/h2-5H2,1H3,(H,9,13)(H,11,12)(H2,8,14,15)
InChIKeyQUVWMPVEIWVVFV-UHFFFAOYSA-N
XLogP-1.61
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-sulfamoylethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[ethyl(2-sulfamoylethylcarbamoyl)amino]acetic acid (CID 61203012) is 2-[ethyl(2-sulfamoylethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(2-sulfamoylethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(2-sulfamoylethylcarbamoyl)amino]acetic acid is CCN(CC(=O)O)C(=O)NCCS(N)(=O)=O.
What is the InChIKey of 2-[ethyl(2-sulfamoylethylcarbamoyl)amino]acetic acid?
The InChIKey is QUVWMPVEIWVVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O5S/c1-2-10(5-6(11)12)7(13)9-3-4-16(8,14)15/h2-5H2,1H3,(H,9,13)(H,11,12)(H2,8,14,15).
What are the key properties of 2-[ethyl(2-sulfamoylethylcarbamoyl)amino]acetic acid?
2-[ethyl(2-sulfamoylethylcarbamoyl)amino]acetic acid has a molecular weight of 253.28 g/mol, XLogP of -1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-sulfamoylethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 61203012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).