4-[methyl(pyrrolidin-1-ylsulfonyl)amino]butanoic acid

C9H18N2O4S — CID 43151879

IUPAC4-[methyl(pyrrolidin-1-ylsulfonyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)S(=O)(=O)N1CCCC1
InChIInChI=1S/C9H18N2O4S/c1-10(6-4-5-9(12)13)16(14,15)11-7-2-3-8-11/h2-8H2,1H3,(H,12,13)
InChIKeyHKCHJMGKBSBZPJ-UHFFFAOYSA-N
MW250.32 g/mol
LogP0.12
Rot. Bonds6

About 4-[methyl(pyrrolidin-1-ylsulfonyl)amino]butanoic acid

4-[methyl(pyrrolidin-1-ylsulfonyl)amino]butanoic acid (PubChem CID 43151879) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 4-[methyl(pyrrolidin-1-ylsulfonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(pyrrolidin-1-ylsulfonyl)amino]butanoic acid
PubChem CID43151879
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name4-[methyl(pyrrolidin-1-ylsulfonyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)S(=O)(=O)N1CCCC1
InChIInChI=1S/C9H18N2O4S/c1-10(6-4-5-9(12)13)16(14,15)11-7-2-3-8-11/h2-8H2,1H3,(H,12,13)
InChIKeyHKCHJMGKBSBZPJ-UHFFFAOYSA-N
XLogP0.12
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Carboxypropyl)-1-Methylpyrrolidin-1-Ium
CID 21578870
1-(Dimethylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 21076145
(3R)-1-(dimethylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 59652928
Ethane;propane;4-pyrrolidin-1-ylbutanoic acid
CID 91210900
4-(1-Methylpyrrolidin-1-ium-1-yl)butanoic acid hydroxide
CID 140077832
1-(Dimethylsulfamoyl)pyrrolidine-3-carboxylic acid;ethane
CID 143148076
4-(Pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 28783603
4-[Dimethylsulfamoyl(methyl)amino]butanoic acid
CID 39246269
4-[Diethylsulfamoyl(methyl)amino]butanoic acid
CID 43151882
4-(Dipropylsulfamoylamino)butanoic acid
CID 43361170
4-[[Butyl(methyl)sulfamoyl]-methylamino]butanoic acid
CID 43361577
4-[Dipropylsulfamoyl(methyl)amino]butanoic acid
CID 43361581

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(pyrrolidin-1-ylsulfonyl)amino]butanoic acid?
The IUPAC name of 4-[methyl(pyrrolidin-1-ylsulfonyl)amino]butanoic acid (CID 43151879) is 4-[methyl(pyrrolidin-1-ylsulfonyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(pyrrolidin-1-ylsulfonyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(pyrrolidin-1-ylsulfonyl)amino]butanoic acid is CN(CCCC(=O)O)S(=O)(=O)N1CCCC1.
What is the InChIKey of 4-[methyl(pyrrolidin-1-ylsulfonyl)amino]butanoic acid?
The InChIKey is HKCHJMGKBSBZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-10(6-4-5-9(12)13)16(14,15)11-7-2-3-8-11/h2-8H2,1H3,(H,12,13).
What are the key properties of 4-[methyl(pyrrolidin-1-ylsulfonyl)amino]butanoic acid?
4-[methyl(pyrrolidin-1-ylsulfonyl)amino]butanoic acid has a molecular weight of 250.32 g/mol, XLogP of 0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(pyrrolidin-1-ylsulfonyl)amino]butanoic acid is sourced from PubChem (CID 43151879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).