2-[2-(dimethylamino)ethylsulfonyl]propanoic acid

C7H15NO4S — CID 24706104

IUPAC2-[2-(dimethylamino)ethylsulfonyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)CCN(C)C
InChIInChI=1S/C7H15NO4S/c1-6(7(9)10)13(11,12)5-4-8(2)3/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyNMEQJSQLQKCGEN-UHFFFAOYSA-N
MW209.27 g/mol
LogP-0.56
Rot. Bonds5

About 2-[2-(dimethylamino)ethylsulfonyl]propanoic acid

2-[2-(dimethylamino)ethylsulfonyl]propanoic acid (PubChem CID 24706104) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylsulfonyl]propanoic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylsulfonyl]propanoic acid
PubChem CID24706104
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name2-[2-(dimethylamino)ethylsulfonyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)CCN(C)C
InChIInChI=1S/C7H15NO4S/c1-6(7(9)10)13(11,12)5-4-8(2)3/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyNMEQJSQLQKCGEN-UHFFFAOYSA-N
XLogP-0.56
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylsulfonyl]propanoic acid?
The IUPAC name of 2-[2-(dimethylamino)ethylsulfonyl]propanoic acid (CID 24706104) is 2-[2-(dimethylamino)ethylsulfonyl]propanoic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethylsulfonyl]propanoic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethylsulfonyl]propanoic acid is CC(C(=O)O)S(=O)(=O)CCN(C)C.
What is the InChIKey of 2-[2-(dimethylamino)ethylsulfonyl]propanoic acid?
The InChIKey is NMEQJSQLQKCGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-6(7(9)10)13(11,12)5-4-8(2)3/h6H,4-5H2,1-3H3,(H,9,10).
What are the key properties of 2-[2-(dimethylamino)ethylsulfonyl]propanoic acid?
2-[2-(dimethylamino)ethylsulfonyl]propanoic acid has a molecular weight of 209.27 g/mol, XLogP of -0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylsulfonyl]propanoic acid is sourced from PubChem (CID 24706104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).