2-[butan-2-yl(methylsulfamoyl)amino]acetic acid

C7H16N2O4S — CID 114805560

IUPAC2-[butan-2-yl(methylsulfamoyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)S(=O)(=O)NC
InChIInChI=1S/C7H16N2O4S/c1-4-6(2)9(5-7(10)11)14(12,13)8-3/h6,8H,4-5H2,1-3H3,(H,10,11)
InChIKeyYYHSJJSOIIMIOE-UHFFFAOYSA-N
MW224.28 g/mol
LogP-0.36
Rot. Bonds6

About 2-[butan-2-yl(methylsulfamoyl)amino]acetic acid

2-[butan-2-yl(methylsulfamoyl)amino]acetic acid (PubChem CID 114805560) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-[butan-2-yl(methylsulfamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl(methylsulfamoyl)amino]acetic acid
PubChem CID114805560
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Name2-[butan-2-yl(methylsulfamoyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)S(=O)(=O)NC
InChIInChI=1S/C7H16N2O4S/c1-4-6(2)9(5-7(10)11)14(12,13)8-3/h6,8H,4-5H2,1-3H3,(H,10,11)
InChIKeyYYHSJJSOIIMIOE-UHFFFAOYSA-N
XLogP-0.36
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[tert-butylsulfamoyl(propan-2-yl)amino]acetic acid
CID 114805577
2-[butan-2-yl(propan-2-yl)amino]acetic acid
CID 60839836
2-[butan-2-yl-(3,5-dimethylphenyl)sulfonylamino]acetic acid
CID 60828140
2-[butan-2-yl-(4-propan-2-ylphenyl)sulfonylamino]acetic acid
CID 60828470
2-[butan-2-yl(2-phenylpropylsulfonyl)amino]acetic acid
CID 80691416
2-[butan-2-yl-(1,1-dioxothian-4-yl)sulfonylamino]acetic acid
CID 62083696
2-[butan-2-yl-(2,5-dibromo-4-methylphenyl)sulfonylamino]acetic acid
CID 81319438
2-[butan-2-yl-[2-(methylamino)acetyl]amino]acetic acid
CID 61161496
2-[methylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 114806576
(2R)-2-[bis(methylsulfamoyl)amino]-4-methylpentanoic acid
CID 141451916
2-[carboxymethyl(propan-2-ylsulfamoyl)amino]acetic acid
CID 114806125
2-[difluoromethylsulfonyl(propan-2-yl)amino]acetic acid
CID 60828476

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(methylsulfamoyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl(methylsulfamoyl)amino]acetic acid (CID 114805560) is 2-[butan-2-yl(methylsulfamoyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl(methylsulfamoyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl(methylsulfamoyl)amino]acetic acid is CCC(C)N(CC(=O)O)S(=O)(=O)NC.
What is the InChIKey of 2-[butan-2-yl(methylsulfamoyl)amino]acetic acid?
The InChIKey is YYHSJJSOIIMIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-4-6(2)9(5-7(10)11)14(12,13)8-3/h6,8H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 2-[butan-2-yl(methylsulfamoyl)amino]acetic acid?
2-[butan-2-yl(methylsulfamoyl)amino]acetic acid has a molecular weight of 224.28 g/mol, XLogP of -0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(methylsulfamoyl)amino]acetic acid is sourced from PubChem (CID 114805560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).