2-(2-ethylsulfonylethylamino)propanoic acid

C7H15NO4S — CID 43808018

IUPAC2-(2-ethylsulfonylethylamino)propanoic acid
SMILESCCS(=O)(=O)CCNC(C)C(=O)O
InChIInChI=1S/C7H15NO4S/c1-3-13(11,12)5-4-8-6(2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)
InChIKeyRELJDQRYEBTENL-UHFFFAOYSA-N
MW209.27 g/mol
LogP-0.52
Rot. Bonds6

About 2-(2-ethylsulfonylethylamino)propanoic acid

2-(2-ethylsulfonylethylamino)propanoic acid (PubChem CID 43808018) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-(2-ethylsulfonylethylamino)propanoic acid.

Molecular Properties

Compound Name2-(2-ethylsulfonylethylamino)propanoic acid
PubChem CID43808018
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name2-(2-ethylsulfonylethylamino)propanoic acid
SMILESCCS(=O)(=O)CCNC(C)C(=O)O
InChIInChI=1S/C7H15NO4S/c1-3-13(11,12)5-4-8-6(2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)
InChIKeyRELJDQRYEBTENL-UHFFFAOYSA-N
XLogP-0.52
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfonylethylamino)propanoic acid?
The IUPAC name of 2-(2-ethylsulfonylethylamino)propanoic acid (CID 43808018) is 2-(2-ethylsulfonylethylamino)propanoic acid.
What is the SMILES notation for 2-(2-ethylsulfonylethylamino)propanoic acid?
The canonical SMILES for 2-(2-ethylsulfonylethylamino)propanoic acid is CCS(=O)(=O)CCNC(C)C(=O)O.
What is the InChIKey of 2-(2-ethylsulfonylethylamino)propanoic acid?
The InChIKey is RELJDQRYEBTENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-3-13(11,12)5-4-8-6(2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 2-(2-ethylsulfonylethylamino)propanoic acid?
2-(2-ethylsulfonylethylamino)propanoic acid has a molecular weight of 209.27 g/mol, XLogP of -0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfonylethylamino)propanoic acid is sourced from PubChem (CID 43808018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).