3-[ethylsulfonyl(methyl)amino]propanoic acid

C6H13NO4S — CID 39239432

IUPAC3-[ethylsulfonyl(methyl)amino]propanoic acid
SMILESCCS(=O)(=O)N(C)CCC(=O)O
InChIInChI=1S/C6H13NO4S/c1-3-12(10,11)7(2)5-4-6(8)9/h3-5H2,1-2H3,(H,8,9)
InChIKeyMGKWAXRKWOGBQP-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.26
Rot. Bonds5

About 3-[ethylsulfonyl(methyl)amino]propanoic acid

3-[ethylsulfonyl(methyl)amino]propanoic acid (PubChem CID 39239432) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-[ethylsulfonyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethylsulfonyl(methyl)amino]propanoic acid
PubChem CID39239432
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Name3-[ethylsulfonyl(methyl)amino]propanoic acid
SMILESCCS(=O)(=O)N(C)CCC(=O)O
InChIInChI=1S/C6H13NO4S/c1-3-12(10,11)7(2)5-4-6(8)9/h3-5H2,1-2H3,(H,8,9)
InChIKeyMGKWAXRKWOGBQP-UHFFFAOYSA-N
XLogP-0.26
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 3-[ethylsulfonyl(methyl)amino]propanoic acid?
The IUPAC name of 3-[ethylsulfonyl(methyl)amino]propanoic acid (CID 39239432) is 3-[ethylsulfonyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethylsulfonyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[ethylsulfonyl(methyl)amino]propanoic acid is CCS(=O)(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[ethylsulfonyl(methyl)amino]propanoic acid?
The InChIKey is MGKWAXRKWOGBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-3-12(10,11)7(2)5-4-6(8)9/h3-5H2,1-2H3,(H,8,9).
What are the key properties of 3-[ethylsulfonyl(methyl)amino]propanoic acid?
3-[ethylsulfonyl(methyl)amino]propanoic acid has a molecular weight of 195.24 g/mol, XLogP of -0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethylsulfonyl(methyl)amino]propanoic acid is sourced from PubChem (CID 39239432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).