4-[methyl(methylsulfonyl)amino]butanoic acid

C6H13NO4S — CID 39239437

IUPAC4-[methyl(methylsulfonyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)S(C)(=O)=O
InChIInChI=1S/C6H13NO4S/c1-7(12(2,10)11)5-3-4-6(8)9/h3-5H2,1-2H3,(H,8,9)
InChIKeyLZEMUDOBCFYZOS-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.26
Rot. Bonds5

About 4-[methyl(methylsulfonyl)amino]butanoic acid

4-[methyl(methylsulfonyl)amino]butanoic acid (PubChem CID 39239437) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is 4-[methyl(methylsulfonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(methylsulfonyl)amino]butanoic acid
PubChem CID39239437
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Name4-[methyl(methylsulfonyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)S(C)(=O)=O
InChIInChI=1S/C6H13NO4S/c1-7(12(2,10)11)5-3-4-6(8)9/h3-5H2,1-2H3,(H,8,9)
InChIKeyLZEMUDOBCFYZOS-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

2-Methyl-1,1-dioxo-1,2-thiazolidine-5-carboxylic acid
CID 121582537
4-[(Methylsulfonyl)amino]butanoic acid
CID 7446982
4-[Difluoromethylsulfonyl(methyl)amino]butanoic acid
CID 43151883
4-[Methyl(trifluoromethylsulfonyl)amino]butanoic acid
CID 43172920
4-[Ethylsulfonyl(methyl)amino]butanoic acid
CID 39242294
4-[Bis(methylsulfonyl)amino]butanoic acid;hydrochloride
CID 87416420
1-Hydroxy-4-[methyl(sulfinato)amino]-1-oxobutane
CID 134606557
2-Methyl-4-[methyl(methylsulfonyl)amino]butanoic acid
CID 145290806
Levocarnitine Impurity 7
CID 13800331
(3-Carboxy-2-sulfopropyl)-trimethylazanium
CID 13800332
4-[Butyl(methyl)sulfamoyl]butanoic acid
CID 28513685
4-[Ethyl(methylsulfonyl)amino]butanoic acid
CID 39242296

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(methylsulfonyl)amino]butanoic acid?
The IUPAC name of 4-[methyl(methylsulfonyl)amino]butanoic acid (CID 39239437) is 4-[methyl(methylsulfonyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(methylsulfonyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(methylsulfonyl)amino]butanoic acid is CN(CCCC(=O)O)S(C)(=O)=O.
What is the InChIKey of 4-[methyl(methylsulfonyl)amino]butanoic acid?
The InChIKey is LZEMUDOBCFYZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-7(12(2,10)11)5-3-4-6(8)9/h3-5H2,1-2H3,(H,8,9).
What are the key properties of 4-[methyl(methylsulfonyl)amino]butanoic acid?
4-[methyl(methylsulfonyl)amino]butanoic 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 4-[methyl(methylsulfonyl)amino]butanoic acid is sourced from PubChem (CID 39239437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).