2-(2-sulfamoylethylcarbamoylamino)acetic acid

C5H11N3O5S — CID 43552645

IUPAC2-(2-sulfamoylethylcarbamoylamino)acetic acid
SMILESNS(=O)(=O)CCNC(=O)NCC(=O)O
InChIInChI=1S/C5H11N3O5S/c6-14(12,13)2-1-7-5(11)8-3-4(9)10/h1-3H2,(H,9,10)(H2,6,12,13)(H2,7,8,11)
InChIKeyLUUPSRFUEICBKJ-UHFFFAOYSA-N
MW225.23 g/mol
LogP-2.34
Rot. Bonds5

About 2-(2-sulfamoylethylcarbamoylamino)acetic acid

2-(2-sulfamoylethylcarbamoylamino)acetic acid (PubChem CID 43552645) has the molecular formula C5H11N3O5S and a molecular weight of 225.23 g/mol. Its IUPAC name is 2-(2-sulfamoylethylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name2-(2-sulfamoylethylcarbamoylamino)acetic acid
PubChem CID43552645
Molecular FormulaC5H11N3O5S
Molecular Weight225.23 g/mol
Exact Mass225.04
IUPAC Name2-(2-sulfamoylethylcarbamoylamino)acetic acid
SMILESNS(=O)(=O)CCNC(=O)NCC(=O)O
InChIInChI=1S/C5H11N3O5S/c6-14(12,13)2-1-7-5(11)8-3-4(9)10/h1-3H2,(H,9,10)(H2,6,12,13)(H2,7,8,11)
InChIKeyLUUPSRFUEICBKJ-UHFFFAOYSA-N
XLogP-2.34
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 5-2.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-sulfamoylethylcarbamoylamino)acetic acid?
The IUPAC name of 2-(2-sulfamoylethylcarbamoylamino)acetic acid (CID 43552645) is 2-(2-sulfamoylethylcarbamoylamino)acetic acid.
What is the SMILES notation for 2-(2-sulfamoylethylcarbamoylamino)acetic acid?
The canonical SMILES for 2-(2-sulfamoylethylcarbamoylamino)acetic acid is NS(=O)(=O)CCNC(=O)NCC(=O)O.
What is the InChIKey of 2-(2-sulfamoylethylcarbamoylamino)acetic acid?
The InChIKey is LUUPSRFUEICBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O5S/c6-14(12,13)2-1-7-5(11)8-3-4(9)10/h1-3H2,(H,9,10)(H2,6,12,13)(H2,7,8,11).
What are the key properties of 2-(2-sulfamoylethylcarbamoylamino)acetic acid?
2-(2-sulfamoylethylcarbamoylamino)acetic acid has a molecular weight of 225.23 g/mol, XLogP of -2.34, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-sulfamoylethylcarbamoylamino)acetic acid is sourced from PubChem (CID 43552645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).