3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-hydroxypropanoic acid

C8H17N3O6S — CID 106341404

IUPAC3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-hydroxypropanoic acid
SMILESCN(C)S(=O)(=O)CCNC(=O)NCC(O)C(=O)O
InChIInChI=1S/C8H17N3O6S/c1-11(2)18(16,17)4-3-9-8(15)10-5-6(12)7(13)14/h6,12H,3-5H2,1-2H3,(H,13,14)(H2,9,10,15)
InChIKeyNDBLFLYQXPRNJR-UHFFFAOYSA-N
MW283.31 g/mol
LogP-2.38
Rot. Bonds7

About 3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-hydroxypropanoic acid

3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-hydroxypropanoic acid (PubChem CID 106341404) has the molecular formula C8H17N3O6S and a molecular weight of 283.31 g/mol. Its IUPAC name is 3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-hydroxypropanoic acid
PubChem CID106341404
Molecular FormulaC8H17N3O6S
Molecular Weight283.31 g/mol
Exact Mass283.08
IUPAC Name3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-hydroxypropanoic acid
SMILESCN(C)S(=O)(=O)CCNC(=O)NCC(O)C(=O)O
InChIInChI=1S/C8H17N3O6S/c1-11(2)18(16,17)4-3-9-8(15)10-5-6(12)7(13)14/h6,12H,3-5H2,1-2H3,(H,13,14)(H2,9,10,15)
InChIKeyNDBLFLYQXPRNJR-UHFFFAOYSA-N
XLogP-2.38
TPSA136.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 5-2.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]butanoic acid
CID 106341409
2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]-3-methylbutanoic acid
CID 106341239
1-[2-(dimethylsulfamoyl)ethyl]-3-propylurea
CID 106335770
(2S)-2-hydroxy-3-(3-methylsulfonylpropylcarbamoylamino)propanoic acid
CID 107839386
(2S)-3-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-2-hydroxypropanoic acid
CID 107837851
3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-methylbutanoic acid
CID 114175825
(2S)-2-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]propanoic acid
CID 106039229
(2S)-2-hydroxy-3-(3-methylbutylcarbamoylamino)propanoic acid
CID 107837964
(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]propanamide
CID 106337421
2-hydroxy-3-[[3-(methylamino)-3-oxopropyl]carbamoylamino]propanoic acid
CID 66165318
1-benzyl-3-[2-(dimethylsulfamoyl)ethyl]urea
CID 106335754
(2S)-3-[2-(carbamoylamino)ethylcarbamoylamino]-2-hydroxypropanoic acid
CID 107840831

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-hydroxypropanoic acid (CID 106341404) is 3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-hydroxypropanoic acid is CN(C)S(=O)(=O)CCNC(=O)NCC(O)C(=O)O.
What is the InChIKey of 3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-hydroxypropanoic acid?
The InChIKey is NDBLFLYQXPRNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O6S/c1-11(2)18(16,17)4-3-9-8(15)10-5-6(12)7(13)14/h6,12H,3-5H2,1-2H3,(H,13,14)(H2,9,10,15).
What are the key properties of 3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-hydroxypropanoic acid?
3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-hydroxypropanoic acid has a molecular weight of 283.31 g/mol, XLogP of -2.38, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-hydroxypropanoic acid is sourced from PubChem (CID 106341404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).