2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfonylacetic acid

C8H14N2O6S — CID 43117007

IUPAC2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfonylacetic acid
SMILESCCNC(=O)NC(=O)C(C)S(=O)(=O)CC(=O)O
InChIInChI=1S/C8H14N2O6S/c1-3-9-8(14)10-7(13)5(2)17(15,16)4-6(11)12/h5H,3-4H2,1-2H3,(H,11,12)(H2,9,10,13,14)
InChIKeyRMYNNMYNNPTJQX-UHFFFAOYSA-N
MW266.27 g/mol
LogP-1.28
Rot. Bonds5

About 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfonylacetic acid

2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfonylacetic acid (PubChem CID 43117007) has the molecular formula C8H14N2O6S and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfonylacetic acid.

Molecular Properties

Compound Name2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfonylacetic acid
PubChem CID43117007
Molecular FormulaC8H14N2O6S
Molecular Weight266.27 g/mol
Exact Mass266.06
IUPAC Name2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfonylacetic acid
SMILESCCNC(=O)NC(=O)C(C)S(=O)(=O)CC(=O)O
InChIInChI=1S/C8H14N2O6S/c1-3-9-8(14)10-7(13)5(2)17(15,16)4-6(11)12/h5H,3-4H2,1-2H3,(H,11,12)(H2,9,10,13,14)
InChIKeyRMYNNMYNNPTJQX-UHFFFAOYSA-N
XLogP-1.28
TPSA129.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfonylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfonylacetic acid?
The IUPAC name of 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfonylacetic acid (CID 43117007) is 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfonylacetic acid.
What is the SMILES notation for 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfonylacetic acid?
The canonical SMILES for 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfonylacetic acid is CCNC(=O)NC(=O)C(C)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfonylacetic acid?
The InChIKey is RMYNNMYNNPTJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O6S/c1-3-9-8(14)10-7(13)5(2)17(15,16)4-6(11)12/h5H,3-4H2,1-2H3,(H,11,12)(H2,9,10,13,14).
What are the key properties of 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfonylacetic acid?
2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfonylacetic acid has a molecular weight of 266.27 g/mol, XLogP of -1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfonylacetic acid is sourced from PubChem (CID 43117007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).