3-[ethyl(methylsulfonyl)amino]propanoic acid

C6H13NO4S — CID 39239435

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

About 3-[ethyl(methylsulfonyl)amino]propanoic acid

3-[ethyl(methylsulfonyl)amino]propanoic acid (PubChem CID 39239435) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-[ethyl(methylsulfonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl(methylsulfonyl)amino]propanoic acid
PubChem CID39239435
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Name3-[ethyl(methylsulfonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)S(C)(=O)=O
InChIInChI=1S/C6H13NO4S/c1-3-7(12(2,10)11)5-4-6(8)9/h3-5H2,1-2H3,(H,8,9)
InChIKeyCYIJYNLXMRQLPV-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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Related Compounds

3-[3-(diethylamino)propyl-methylsulfonylamino]propanoic acid
CID 82326345
3-[tert-butylsulfamoyl(ethyl)amino]propanoic acid
CID 114805730
3-[bis(methylsulfonyl)amino]propanoic acid
CID 87416675
3-[ethyl(methoxycarbonylsulfamoyl)amino]propanoic acid
CID 114462295
3-[ethyl(2-methylpropylsulfamoyl)amino]propanoic acid
CID 114814475
3-[methylsulfonyl(2-phenylethyl)amino]propanoic acid
CID 82326336
N-ethyl-N-tetradecylmethanesulfonamide
CID 91715481
N-(2-chloroethyl)-N-ethylmethanesulfonamide
CID 63397656
N-ethyl-N-(4-iodobutyl)methanesulfonamide
CID 89182748
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-dimethylpropanamide
CID 61150790
3-[butyl(ethyl)sulfamoyl]propanoic acid
CID 28773925
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 62727869

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(methylsulfonyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl(methylsulfonyl)amino]propanoic acid (CID 39239435) is 3-[ethyl(methylsulfonyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl(methylsulfonyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl(methylsulfonyl)amino]propanoic acid is CCN(CCC(=O)O)S(C)(=O)=O.
What is the InChIKey of 3-[ethyl(methylsulfonyl)amino]propanoic acid?
The InChIKey is CYIJYNLXMRQLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-3-7(12(2,10)11)5-4-6(8)9/h3-5H2,1-2H3,(H,8,9).
What are the key properties of 3-[ethyl(methylsulfonyl)amino]propanoic acid?
3-[ethyl(methylsulfonyl)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-[ethyl(methylsulfonyl)amino]propanoic acid is sourced from PubChem (CID 39239435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).