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

C6H10N2O6S — CID 24690586

IUPAC2-[2-(carbamoylamino)-2-oxoethyl]sulfonylpropanoic acid
SMILESCC(C(=O)O)S(=O)(=O)CC(=O)NC(N)=O
InChIInChI=1S/C6H10N2O6S/c1-3(5(10)11)15(13,14)2-4(9)8-6(7)12/h3H,2H2,1H3,(H,10,11)(H3,7,8,9,12)
InChIKeyPCTPOGRJRDNJKX-UHFFFAOYSA-N
MW238.22 g/mol
LogP-1.93
Rot. Bonds4

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

2-[2-(carbamoylamino)-2-oxoethyl]sulfonylpropanoic acid (PubChem CID 24690586) has the molecular formula C6H10N2O6S and a molecular weight of 238.22 g/mol. Its IUPAC name is 2-[2-(carbamoylamino)-2-oxoethyl]sulfonylpropanoic acid.

Molecular Properties

Compound Name2-[2-(carbamoylamino)-2-oxoethyl]sulfonylpropanoic acid
PubChem CID24690586
Molecular FormulaC6H10N2O6S
Molecular Weight238.22 g/mol
Exact Mass238.03
IUPAC Name2-[2-(carbamoylamino)-2-oxoethyl]sulfonylpropanoic acid
SMILESCC(C(=O)O)S(=O)(=O)CC(=O)NC(N)=O
InChIInChI=1S/C6H10N2O6S/c1-3(5(10)11)15(13,14)2-4(9)8-6(7)12/h3H,2H2,1H3,(H,10,11)(H3,7,8,9,12)
InChIKeyPCTPOGRJRDNJKX-UHFFFAOYSA-N
XLogP-1.93
TPSA143.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 5-1.93
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]sulfonylpropanoic acid?
The IUPAC name of 2-[2-(carbamoylamino)-2-oxoethyl]sulfonylpropanoic acid (CID 24690586) is 2-[2-(carbamoylamino)-2-oxoethyl]sulfonylpropanoic acid.
What is the SMILES notation for 2-[2-(carbamoylamino)-2-oxoethyl]sulfonylpropanoic acid?
The canonical SMILES for 2-[2-(carbamoylamino)-2-oxoethyl]sulfonylpropanoic acid is CC(C(=O)O)S(=O)(=O)CC(=O)NC(N)=O.
What is the InChIKey of 2-[2-(carbamoylamino)-2-oxoethyl]sulfonylpropanoic acid?
The InChIKey is PCTPOGRJRDNJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O6S/c1-3(5(10)11)15(13,14)2-4(9)8-6(7)12/h3H,2H2,1H3,(H,10,11)(H3,7,8,9,12).
What are the key properties of 2-[2-(carbamoylamino)-2-oxoethyl]sulfonylpropanoic acid?
2-[2-(carbamoylamino)-2-oxoethyl]sulfonylpropanoic acid has a molecular weight of 238.22 g/mol, XLogP of -1.93, 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]sulfonylpropanoic acid is sourced from PubChem (CID 24690586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).