2-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid

C9H20N2O4S — CID 80540254

IUPAC2-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
SMILESCC(CCNS(=O)(=O)N(C)C(C)C)C(=O)O
InChIInChI=1S/C9H20N2O4S/c1-7(2)11(4)16(14,15)10-6-5-8(3)9(12)13/h7-8,10H,5-6H2,1-4H3,(H,12,13)
InChIKeyLGYABHOCHPUHHA-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.27
Rot. Bonds7

About 2-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid

2-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid (PubChem CID 80540254) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
PubChem CID80540254
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name2-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
SMILESCC(CCNS(=O)(=O)N(C)C(C)C)C(=O)O
InChIInChI=1S/C9H20N2O4S/c1-7(2)11(4)16(14,15)10-6-5-8(3)9(12)13/h7-8,10H,5-6H2,1-4H3,(H,12,13)
InChIKeyLGYABHOCHPUHHA-UHFFFAOYSA-N
XLogP0.27
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(1S)-1-carboxy-2-methylpropyl]sulfamoylamino]-3-methylbutanoic acid
CID 134964133
2-(Dimethylsulfamoylamino)-3-methylbutanoic acid
CID 24262922
(2R)-2-(dimethylsulfamoylamino)-3-methylbutanoic acid
CID 28363754
(2S)-2-(dimethylsulfamoylamino)-3-methylbutanoic acid
CID 28363756
(2R)-2-(dimethylsulfamoylamino)-4-methylpentanoic acid
CID 28363758
(2S)-2-amino-3-methylbutanoic acid;N,N-dimethylsulfamoyl chloride
CID 87885045
(2S)-2-(tert-butylsulfamoylamino)-3-methylbutanoic acid
CID 88350115
(2S)-2-amino-4-(dimethylsulfamoylamino)butanoic acid
CID 89124061
2-Amino-4-(dimethylsulfamoylamino)butanoic acid
CID 89124062
(2S)-2-amino-4-(2-methylpropylsulfamoylamino)butanoic acid
CID 89124350
2-Amino-4-(2-methylpropylsulfamoylamino)butanoic acid
CID 89124353
(2S)-2-(butylsulfamoylamino)-3-methylbutanoic acid
CID 142646298

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid?
The IUPAC name of 2-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid (CID 80540254) is 2-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid.
What is the SMILES notation for 2-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid?
The canonical SMILES for 2-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid is CC(CCNS(=O)(=O)N(C)C(C)C)C(=O)O.
What is the InChIKey of 2-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid?
The InChIKey is LGYABHOCHPUHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-7(2)11(4)16(14,15)10-6-5-8(3)9(12)13/h7-8,10H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 2-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid?
2-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid has a molecular weight of 252.34 g/mol, XLogP of 0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid is sourced from PubChem (CID 80540254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).