3-[2-(carbamoylamino)-2-oxoethyl]sulfonylpropanoic acid

C6H10N2O6S — CID 24711773

IUPAC3-[2-(carbamoylamino)-2-oxoethyl]sulfonylpropanoic acid
SMILESNC(=O)NC(=O)CS(=O)(=O)CCC(=O)O
InChIInChI=1S/C6H10N2O6S/c7-6(12)8-4(9)3-15(13,14)2-1-5(10)11/h1-3H2,(H,10,11)(H3,7,8,9,12)
InChIKeyLDQKQDAYVHAZGT-UHFFFAOYSA-N
MW238.22 g/mol
LogP-1.93
Rot. Bonds5

About 3-[2-(carbamoylamino)-2-oxoethyl]sulfonylpropanoic acid

3-[2-(carbamoylamino)-2-oxoethyl]sulfonylpropanoic acid (PubChem CID 24711773) has the molecular formula C6H10N2O6S and a molecular weight of 238.22 g/mol. Its IUPAC name is 3-[2-(carbamoylamino)-2-oxoethyl]sulfonylpropanoic acid.

Molecular Properties

Compound Name3-[2-(carbamoylamino)-2-oxoethyl]sulfonylpropanoic acid
PubChem CID24711773
Molecular FormulaC6H10N2O6S
Molecular Weight238.22 g/mol
Exact Mass238.03
IUPAC Name3-[2-(carbamoylamino)-2-oxoethyl]sulfonylpropanoic acid
SMILESNC(=O)NC(=O)CS(=O)(=O)CCC(=O)O
InChIInChI=1S/C6H10N2O6S/c7-6(12)8-4(9)3-15(13,14)2-1-5(10)11/h1-3H2,(H,10,11)(H3,7,8,9,12)
InChIKeyLDQKQDAYVHAZGT-UHFFFAOYSA-N
XLogP-1.93
TPSA143.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
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 3-[2-(carbamoylamino)-2-oxoethyl]sulfonylpropanoic acid?
The IUPAC name of 3-[2-(carbamoylamino)-2-oxoethyl]sulfonylpropanoic acid (CID 24711773) is 3-[2-(carbamoylamino)-2-oxoethyl]sulfonylpropanoic acid.
What is the SMILES notation for 3-[2-(carbamoylamino)-2-oxoethyl]sulfonylpropanoic acid?
The canonical SMILES for 3-[2-(carbamoylamino)-2-oxoethyl]sulfonylpropanoic acid is NC(=O)NC(=O)CS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[2-(carbamoylamino)-2-oxoethyl]sulfonylpropanoic acid?
The InChIKey is LDQKQDAYVHAZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O6S/c7-6(12)8-4(9)3-15(13,14)2-1-5(10)11/h1-3H2,(H,10,11)(H3,7,8,9,12).
What are the key properties of 3-[2-(carbamoylamino)-2-oxoethyl]sulfonylpropanoic acid?
3-[2-(carbamoylamino)-2-oxoethyl]sulfonylpropanoic acid has a molecular weight of 238.22 g/mol, XLogP of -1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(carbamoylamino)-2-oxoethyl]sulfonylpropanoic acid is sourced from PubChem (CID 24711773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).