2-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]propanoic acid

C9H17NO6S — CID 54947811

IUPAC2-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]propanoic acid
SMILESCCCN(CC(=O)OC)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C9H17NO6S/c1-4-5-10(6-8(11)16-3)17(14,15)7(2)9(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyQSNNAHJCNLRRLK-UHFFFAOYSA-N
MW267.30 g/mol
LogP-0.33
Rot. Bonds7

About 2-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]propanoic acid

2-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]propanoic acid (PubChem CID 54947811) has the molecular formula C9H17NO6S and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]propanoic acid
PubChem CID54947811
Molecular FormulaC9H17NO6S
Molecular Weight267.30 g/mol
Exact Mass267.08
IUPAC Name2-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]propanoic acid
SMILESCCCN(CC(=O)OC)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C9H17NO6S/c1-4-5-10(6-8(11)16-3)17(14,15)7(2)9(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyQSNNAHJCNLRRLK-UHFFFAOYSA-N
XLogP-0.33
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]propanoic acid?
The IUPAC name of 2-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]propanoic acid (CID 54947811) is 2-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]propanoic acid.
What is the SMILES notation for 2-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]propanoic acid?
The canonical SMILES for 2-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]propanoic acid is CCCN(CC(=O)OC)S(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]propanoic acid?
The InChIKey is QSNNAHJCNLRRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO6S/c1-4-5-10(6-8(11)16-3)17(14,15)7(2)9(12)13/h7H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]propanoic acid?
2-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]propanoic acid has a molecular weight of 267.30 g/mol, XLogP of -0.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]propanoic acid is sourced from PubChem (CID 54947811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).