3-[[butyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid

C10H22N2O4S — CID 55007438

IUPAC3-[[butyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid
SMILESCCCCN(C)S(=O)(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C10H22N2O4S/c1-5-6-7-11(3)17(15,16)12(4)8-9(2)10(13)14/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyJTWAWQOUJYQBDY-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.62
Rot. Bonds8

About 3-[[butyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid

3-[[butyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid (PubChem CID 55007438) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 3-[[butyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[butyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid
PubChem CID55007438
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name3-[[butyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid
SMILESCCCCN(C)S(=O)(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C10H22N2O4S/c1-5-6-7-11(3)17(15,16)12(4)8-9(2)10(13)14/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyJTWAWQOUJYQBDY-UHFFFAOYSA-N
XLogP0.62
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[hexyl(methylsulfonyl)amino]-2-methylpropanoic acid
CID 82326382
3-[butyl(propanoyl)amino]-2-methylpropanoic acid
CID 82323303
3-[heptyl(hexyl)amino]-2-methylpropanoic acid
CID 82328811
3-[dibutylcarbamoyl(ethyl)amino]-2-methylpropanoic acid
CID 62853369
3-[butyl(3-oxobutan-2-yl)amino]-2-methylpropanoic acid
CID 82329356
3-[butylsulfonyl(3-hydroxypropyl)amino]-2-methylpropanoic acid
CID 82326460
3-[butylsulfonyl(2-carboxyethyl)amino]-2-methylpropanoic acid
CID 82326473
4-amino-2-[[butyl(methyl)sulfamoyl]amino]-4-oxobutanoic acid
CID 43169485
3-[butyl(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 82328233
3-[carboxymethyl(pentyl)amino]-2-methylpropanoic acid
CID 82328302
2-methyl-3-[methyl(nonanoyl)amino]propanoic acid
CID 55008354
(2S)-2-[[butyl(methyl)sulfamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63307217

Frequently Asked Questions

What is the IUPAC name of 3-[[butyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[butyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid (CID 55007438) is 3-[[butyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[butyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[butyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid is CCCCN(C)S(=O)(=O)N(C)CC(C)C(=O)O.
What is the InChIKey of 3-[[butyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is JTWAWQOUJYQBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-5-6-7-11(3)17(15,16)12(4)8-9(2)10(13)14/h9H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 3-[[butyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid?
3-[[butyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 266.36 g/mol, XLogP of 0.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[butyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 55007438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).