3,3-dimethyl-5-oxo-5-(2-sulfamoylethylamino)pentanoic acid

C9H18N2O5S — CID 62933176

IUPAC3,3-dimethyl-5-oxo-5-(2-sulfamoylethylamino)pentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NCCS(N)(=O)=O
InChIInChI=1S/C9H18N2O5S/c1-9(2,6-8(13)14)5-7(12)11-3-4-17(10,15)16/h3-6H2,1-2H3,(H,11,12)(H,13,14)(H2,10,15,16)
InChIKeyZFMQGDXJVYTJGU-UHFFFAOYSA-N
MW266.32 g/mol
LogP-0.72
Rot. Bonds7

About 3,3-dimethyl-5-oxo-5-(2-sulfamoylethylamino)pentanoic acid

3,3-dimethyl-5-oxo-5-(2-sulfamoylethylamino)pentanoic acid (PubChem CID 62933176) has the molecular formula C9H18N2O5S and a molecular weight of 266.32 g/mol. Its IUPAC name is 3,3-dimethyl-5-oxo-5-(2-sulfamoylethylamino)pentanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-oxo-5-(2-sulfamoylethylamino)pentanoic acid
PubChem CID62933176
Molecular FormulaC9H18N2O5S
Molecular Weight266.32 g/mol
Exact Mass266.09
IUPAC Name3,3-dimethyl-5-oxo-5-(2-sulfamoylethylamino)pentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NCCS(N)(=O)=O
InChIInChI=1S/C9H18N2O5S/c1-9(2,6-8(13)14)5-7(12)11-3-4-17(10,15)16/h3-6H2,1-2H3,(H,11,12)(H,13,14)(H2,10,15,16)
InChIKeyZFMQGDXJVYTJGU-UHFFFAOYSA-N
XLogP-0.72
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3,3-dimethyl-5-oxo-5-(2-sulfamoylethylamino)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-oxo-3-(2-sulfamoylethylamino)propanoic acid
CID 62230210
5-(2-cyanoethylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62933016
5-[3-(dimethylamino)propylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 55157683
2,2-dimethyl-4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid
CID 65300232
3-oxo-N-(2-sulfamoylethyl)butanamide
CID 60933288
3-oxo-3-(3-sulfamoylpropylamino)propanoic acid
CID 62230975
3,3-dimethyl-5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid
CID 62933528
5-(cyanomethylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62933397
3,3-dimethyl-5-(2-methylbutylamino)-5-oxopentanoic acid
CID 62934606
5-(carbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62934613
3,3-dimethyl-5-oxo-5-(3-piperazin-1-ylpropylamino)pentanoic acid
CID 62935271
5-(3-ethenoxypropylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62932848

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-oxo-5-(2-sulfamoylethylamino)pentanoic acid?
The IUPAC name of 3,3-dimethyl-5-oxo-5-(2-sulfamoylethylamino)pentanoic acid (CID 62933176) is 3,3-dimethyl-5-oxo-5-(2-sulfamoylethylamino)pentanoic acid.
What is the SMILES notation for 3,3-dimethyl-5-oxo-5-(2-sulfamoylethylamino)pentanoic acid?
The canonical SMILES for 3,3-dimethyl-5-oxo-5-(2-sulfamoylethylamino)pentanoic acid is CC(C)(CC(=O)O)CC(=O)NCCS(N)(=O)=O.
What is the InChIKey of 3,3-dimethyl-5-oxo-5-(2-sulfamoylethylamino)pentanoic acid?
The InChIKey is ZFMQGDXJVYTJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5S/c1-9(2,6-8(13)14)5-7(12)11-3-4-17(10,15)16/h3-6H2,1-2H3,(H,11,12)(H,13,14)(H2,10,15,16).
What are the key properties of 3,3-dimethyl-5-oxo-5-(2-sulfamoylethylamino)pentanoic acid?
3,3-dimethyl-5-oxo-5-(2-sulfamoylethylamino)pentanoic acid has a molecular weight of 266.32 g/mol, XLogP of -0.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-oxo-5-(2-sulfamoylethylamino)pentanoic acid is sourced from PubChem (CID 62933176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).