2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid

C8H18N2O4S — CID 61455507

IUPAC2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid
SMILESCC(C)N(C)S(=O)(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C8H18N2O4S/c1-6(2)10(5)15(13,14)9-8(3,4)7(11)12/h6,9H,1-5H3,(H,11,12)
InChIKeyIIENGBRKBTZASL-UHFFFAOYSA-N
MW238.31 g/mol
LogP0.02
Rot. Bonds5

About 2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid

2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid (PubChem CID 61455507) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid
PubChem CID61455507
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid
SMILESCC(C)N(C)S(=O)(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C8H18N2O4S/c1-6(2)10(5)15(13,14)9-8(3,4)7(11)12/h6,9H,1-5H3,(H,11,12)
InChIKeyIIENGBRKBTZASL-UHFFFAOYSA-N
XLogP0.02
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
CID 79793406
1-amino-2,4-dimethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentane;hydrochloride
CID 119985049
1-chloro-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 65032465
2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
CID 61455877
2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid
CID 80686315
N'-hydroxy-2,2-dimethyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 104873849
2-methyl-2-(3-methylbutan-2-ylamino)propanoic acid
CID 82238205
3,3,3-trifluoro-2-methyl-2-(2-methylpropylsulfonylamino)propanoic acid
CID 79792998
(2S)-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanoic acid
CID 54947569
(2R)-4-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
CID 104933802
2-[methyl(2-methylpropylsulfamoyl)amino]propanoic acid
CID 114814529
3,3,3-trifluoro-2-methyl-2-(propan-2-ylsulfonylamino)propanoic acid
CID 79792170

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid (CID 61455507) is 2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid is CC(C)N(C)S(=O)(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid?
The InChIKey is IIENGBRKBTZASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-6(2)10(5)15(13,14)9-8(3,4)7(11)12/h6,9H,1-5H3,(H,11,12).
What are the key properties of 2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid?
2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid has a molecular weight of 238.31 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid is sourced from PubChem (CID 61455507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).