3-[cyclopropyl-(2-methoxy-2-oxoethyl)sulfonylamino]propanoic acid

C9H15NO6S — CID 61359922

IUPAC3-[cyclopropyl-(2-methoxy-2-oxoethyl)sulfonylamino]propanoic acid
SMILESCOC(=O)CS(=O)(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C9H15NO6S/c1-16-9(13)6-17(14,15)10(7-2-3-7)5-4-8(11)12/h7H,2-6H2,1H3,(H,11,12)
InChIKeyXJGOXPQXFGECGT-UHFFFAOYSA-N
MW265.29 g/mol
LogP-0.57
Rot. Bonds7

About 3-[cyclopropyl-(2-methoxy-2-oxoethyl)sulfonylamino]propanoic acid

3-[cyclopropyl-(2-methoxy-2-oxoethyl)sulfonylamino]propanoic acid (PubChem CID 61359922) has the molecular formula C9H15NO6S and a molecular weight of 265.29 g/mol. Its IUPAC name is 3-[cyclopropyl-(2-methoxy-2-oxoethyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(2-methoxy-2-oxoethyl)sulfonylamino]propanoic acid
PubChem CID61359922
Molecular FormulaC9H15NO6S
Molecular Weight265.29 g/mol
Exact Mass265.06
IUPAC Name3-[cyclopropyl-(2-methoxy-2-oxoethyl)sulfonylamino]propanoic acid
SMILESCOC(=O)CS(=O)(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C9H15NO6S/c1-16-9(13)6-17(14,15)10(7-2-3-7)5-4-8(11)12/h7H,2-6H2,1H3,(H,11,12)
InChIKeyXJGOXPQXFGECGT-UHFFFAOYSA-N
XLogP-0.57
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-[cyclopropyl(3-methylbutyl)sulfamoyl]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(2-methoxy-2-oxoethyl)sulfonylamino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(2-methoxy-2-oxoethyl)sulfonylamino]propanoic acid (CID 61359922) is 3-[cyclopropyl-(2-methoxy-2-oxoethyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(2-methoxy-2-oxoethyl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(2-methoxy-2-oxoethyl)sulfonylamino]propanoic acid is COC(=O)CS(=O)(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(2-methoxy-2-oxoethyl)sulfonylamino]propanoic acid?
The InChIKey is XJGOXPQXFGECGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO6S/c1-16-9(13)6-17(14,15)10(7-2-3-7)5-4-8(11)12/h7H,2-6H2,1H3,(H,11,12).
What are the key properties of 3-[cyclopropyl-(2-methoxy-2-oxoethyl)sulfonylamino]propanoic acid?
3-[cyclopropyl-(2-methoxy-2-oxoethyl)sulfonylamino]propanoic acid has a molecular weight of 265.29 g/mol, XLogP of -0.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(2-methoxy-2-oxoethyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 61359922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).