2-[1-(diethylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid

C10H19NO5S — CID 43117052

IUPAC2-[1-(diethylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid
SMILESCCN(CC)C(=O)C(C)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C10H19NO5S/c1-5-11(6-2)9(12)7(3)17(15,16)8(4)10(13)14/h7-8H,5-6H2,1-4H3,(H,13,14)
InChIKeyAPYCRJDUPHQVHL-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.13
Rot. Bonds6

About 2-[1-(diethylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid

2-[1-(diethylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid (PubChem CID 43117052) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-[1-(diethylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid.

Molecular Properties

Compound Name2-[1-(diethylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid
PubChem CID43117052
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name2-[1-(diethylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid
SMILESCCN(CC)C(=O)C(C)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C10H19NO5S/c1-5-11(6-2)9(12)7(3)17(15,16)8(4)10(13)14/h7-8H,5-6H2,1-4H3,(H,13,14)
InChIKeyAPYCRJDUPHQVHL-UHFFFAOYSA-N
XLogP0.13
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(diethylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid?
The IUPAC name of 2-[1-(diethylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid (CID 43117052) is 2-[1-(diethylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid.
What is the SMILES notation for 2-[1-(diethylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid?
The canonical SMILES for 2-[1-(diethylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid is CCN(CC)C(=O)C(C)S(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-[1-(diethylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid?
The InChIKey is APYCRJDUPHQVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-5-11(6-2)9(12)7(3)17(15,16)8(4)10(13)14/h7-8H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 2-[1-(diethylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid?
2-[1-(diethylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid has a molecular weight of 265.33 g/mol, XLogP of 0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(diethylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid is sourced from PubChem (CID 43117052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).