2-[ethylsulfonyl(methyl)amino]propanoic acid

C6H13NO4S — CID 59950860

IUPAC2-[ethylsulfonyl(methyl)amino]propanoic acid
SMILESCCS(=O)(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C6H13NO4S/c1-4-12(10,11)7(3)5(2)6(8)9/h5H,4H2,1-3H3,(H,8,9)
InChIKeyKVUDIEHHBIMYCU-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.26
Rot. Bonds4

About 2-[ethylsulfonyl(methyl)amino]propanoic acid

2-[ethylsulfonyl(methyl)amino]propanoic acid (PubChem CID 59950860) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-[ethylsulfonyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[ethylsulfonyl(methyl)amino]propanoic acid
PubChem CID59950860
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Name2-[ethylsulfonyl(methyl)amino]propanoic acid
SMILESCCS(=O)(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C6H13NO4S/c1-4-12(10,11)7(3)5(2)6(8)9/h5H,4H2,1-3H3,(H,8,9)
InChIKeyKVUDIEHHBIMYCU-UHFFFAOYSA-N
XLogP-0.26
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethylsulfonyl(methyl)amino]propanoic acid?
The IUPAC name of 2-[ethylsulfonyl(methyl)amino]propanoic acid (CID 59950860) is 2-[ethylsulfonyl(methyl)amino]propanoic acid.
What is the SMILES notation for 2-[ethylsulfonyl(methyl)amino]propanoic acid?
The canonical SMILES for 2-[ethylsulfonyl(methyl)amino]propanoic acid is CCS(=O)(=O)N(C)C(C)C(=O)O.
What is the InChIKey of 2-[ethylsulfonyl(methyl)amino]propanoic acid?
The InChIKey is KVUDIEHHBIMYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-4-12(10,11)7(3)5(2)6(8)9/h5H,4H2,1-3H3,(H,8,9).
What are the key properties of 2-[ethylsulfonyl(methyl)amino]propanoic acid?
2-[ethylsulfonyl(methyl)amino]propanoic acid has a molecular weight of 195.24 g/mol, XLogP of -0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethylsulfonyl(methyl)amino]propanoic acid is sourced from PubChem (CID 59950860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).