2,2-dimethyl-4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid

C9H17N3O6S — CID 65300232

IUPAC2,2-dimethyl-4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid
SMILESCC(C)(CC(=O)NC(=O)NCCS(N)(=O)=O)C(=O)O
InChIInChI=1S/C9H17N3O6S/c1-9(2,7(14)15)5-6(13)12-8(16)11-3-4-19(10,17)18/h3-5H2,1-2H3,(H,14,15)(H2,10,17,18)(H2,11,12,13,16)
InChIKeySASFUCNLLNKJLK-UHFFFAOYSA-N
MW295.32 g/mol
LogP-1.40
Rot. Bonds6

About 2,2-dimethyl-4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid

2,2-dimethyl-4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid (PubChem CID 65300232) has the molecular formula C9H17N3O6S and a molecular weight of 295.32 g/mol. Its IUPAC name is 2,2-dimethyl-4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid
PubChem CID65300232
Molecular FormulaC9H17N3O6S
Molecular Weight295.32 g/mol
Exact Mass295.08
IUPAC Name2,2-dimethyl-4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid
SMILESCC(C)(CC(=O)NC(=O)NCCS(N)(=O)=O)C(=O)O
InChIInChI=1S/C9H17N3O6S/c1-9(2,7(14)15)5-6(13)12-8(16)11-3-4-19(10,17)18/h3-5H2,1-2H3,(H,14,15)(H2,10,17,18)(H2,11,12,13,16)
InChIKeySASFUCNLLNKJLK-UHFFFAOYSA-N
XLogP-1.40
TPSA155.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid
CID 43552577
4-[(3-ethoxy-3-oxopropyl)carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65301989
4-[3-(dimethylamino)propylcarbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300125
3,3-dimethyl-5-oxo-5-(2-sulfamoylethylamino)pentanoic acid
CID 62933176
4-[(4-bromophenyl)methylcarbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65299830
4-(2-aminoethylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65302363
4-[2-(ethylsulfamoyl)ethylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 106334761
3-oxo-3-(2-sulfamoylethylamino)propanoic acid
CID 62230210
2,2-dimethyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 106419385
4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 104828621
2,2-dimethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 106035468
3-oxo-N-(2-sulfamoylethyl)butanamide
CID 60933288

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid?
The IUPAC name of 2,2-dimethyl-4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid (CID 65300232) is 2,2-dimethyl-4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid?
The canonical SMILES for 2,2-dimethyl-4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid is CC(C)(CC(=O)NC(=O)NCCS(N)(=O)=O)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid?
The InChIKey is SASFUCNLLNKJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O6S/c1-9(2,7(14)15)5-6(13)12-8(16)11-3-4-19(10,17)18/h3-5H2,1-2H3,(H,14,15)(H2,10,17,18)(H2,11,12,13,16).
What are the key properties of 2,2-dimethyl-4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid?
2,2-dimethyl-4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid has a molecular weight of 295.32 g/mol, XLogP of -1.40, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid is sourced from PubChem (CID 65300232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).