2-[2-(carbamoylamino)-2-oxoethyl]sulfonylacetic acid

C5H8N2O6S — CID 24696538

IUPAC2-[2-(carbamoylamino)-2-oxoethyl]sulfonylacetic acid
SMILESNC(=O)NC(=O)CS(=O)(=O)CC(=O)O
InChIInChI=1S/C5H8N2O6S/c6-5(11)7-3(8)1-14(12,13)2-4(9)10/h1-2H2,(H,9,10)(H3,6,7,8,11)
InChIKeyWDIFRWKWXIXNID-UHFFFAOYSA-N
MW224.19 g/mol
LogP-2.32
Rot. Bonds4

About 2-[2-(carbamoylamino)-2-oxoethyl]sulfonylacetic acid

2-[2-(carbamoylamino)-2-oxoethyl]sulfonylacetic acid (PubChem CID 24696538) has the molecular formula C5H8N2O6S and a molecular weight of 224.19 g/mol. Its IUPAC name is 2-[2-(carbamoylamino)-2-oxoethyl]sulfonylacetic acid.

Molecular Properties

Compound Name2-[2-(carbamoylamino)-2-oxoethyl]sulfonylacetic acid
PubChem CID24696538
Molecular FormulaC5H8N2O6S
Molecular Weight224.19 g/mol
Exact Mass224.01
IUPAC Name2-[2-(carbamoylamino)-2-oxoethyl]sulfonylacetic acid
SMILESNC(=O)NC(=O)CS(=O)(=O)CC(=O)O
InChIInChI=1S/C5H8N2O6S/c6-5(11)7-3(8)1-14(12,13)2-4(9)10/h1-2H2,(H,9,10)(H3,6,7,8,11)
InChIKeyWDIFRWKWXIXNID-UHFFFAOYSA-N
XLogP-2.32
TPSA143.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 5-2.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(carbamoylamino)-2-oxoethyl]sulfonylacetic acid?
The IUPAC name of 2-[2-(carbamoylamino)-2-oxoethyl]sulfonylacetic acid (CID 24696538) is 2-[2-(carbamoylamino)-2-oxoethyl]sulfonylacetic acid.
What is the SMILES notation for 2-[2-(carbamoylamino)-2-oxoethyl]sulfonylacetic acid?
The canonical SMILES for 2-[2-(carbamoylamino)-2-oxoethyl]sulfonylacetic acid is NC(=O)NC(=O)CS(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[2-(carbamoylamino)-2-oxoethyl]sulfonylacetic acid?
The InChIKey is WDIFRWKWXIXNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O6S/c6-5(11)7-3(8)1-14(12,13)2-4(9)10/h1-2H2,(H,9,10)(H3,6,7,8,11).
What are the key properties of 2-[2-(carbamoylamino)-2-oxoethyl]sulfonylacetic acid?
2-[2-(carbamoylamino)-2-oxoethyl]sulfonylacetic acid has a molecular weight of 224.19 g/mol, XLogP of -2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carbamoylamino)-2-oxoethyl]sulfonylacetic acid is sourced from PubChem (CID 24696538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).