2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]butanoic acid

C10H21N3O5S — CID 106341409

IUPAC2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]butanoic acid
SMILESCCC(CNC(=O)NCCS(=O)(=O)N(C)C)C(=O)O
InChIInChI=1S/C10H21N3O5S/c1-4-8(9(14)15)7-12-10(16)11-5-6-19(17,18)13(2)3/h8H,4-7H2,1-3H3,(H,14,15)(H2,11,12,16)
InChIKeyPXPJLIXOESTUSX-UHFFFAOYSA-N
MW295.36 g/mol
LogP-0.71
Rot. Bonds8

About 2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]butanoic acid

2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]butanoic acid (PubChem CID 106341409) has the molecular formula C10H21N3O5S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]butanoic acid
PubChem CID106341409
Molecular FormulaC10H21N3O5S
Molecular Weight295.36 g/mol
Exact Mass295.12
IUPAC Name2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]butanoic acid
SMILESCCC(CNC(=O)NCCS(=O)(=O)N(C)C)C(=O)O
InChIInChI=1S/C10H21N3O5S/c1-4-8(9(14)15)7-12-10(16)11-5-6-19(17,18)13(2)3/h8H,4-7H2,1-3H3,(H,14,15)(H2,11,12,16)
InChIKeyPXPJLIXOESTUSX-UHFFFAOYSA-N
XLogP-0.71
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-hydroxypropanoic acid
CID 106341404
2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]-3-methylbutanoic acid
CID 106341239
1-[2-(dimethylsulfamoyl)ethyl]-3-propylurea
CID 106335770
2-[[2-(dimethylcarbamoylamino)ethylcarbamoylamino]methyl]butanoic acid
CID 83114358
2-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]butanoic acid
CID 65222904
3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-methylbutanoic acid
CID 114175825
4,4-dimethyl-2-[(2-methylsulfonylethylcarbamoylamino)methyl]pentanoic acid
CID 107474064
2-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-4-methoxybutanoic acid
CID 106341273
(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]propanamide
CID 106337421
2-[[(3-ethoxy-3-oxopropyl)carbamoylamino]methyl]butanoic acid
CID 65221683
2-[[3-(methylamino)propanoylamino]methyl]butanoic acid
CID 65224493
2-[(prop-2-ynylcarbamoylamino)methyl]butanoic acid
CID 65217556

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]butanoic acid?
The IUPAC name of 2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]butanoic acid (CID 106341409) is 2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]butanoic acid.
What is the SMILES notation for 2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]butanoic acid?
The canonical SMILES for 2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]butanoic acid is CCC(CNC(=O)NCCS(=O)(=O)N(C)C)C(=O)O.
What is the InChIKey of 2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]butanoic acid?
The InChIKey is PXPJLIXOESTUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O5S/c1-4-8(9(14)15)7-12-10(16)11-5-6-19(17,18)13(2)3/h8H,4-7H2,1-3H3,(H,14,15)(H2,11,12,16).
What are the key properties of 2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]butanoic acid?
2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]butanoic acid has a molecular weight of 295.36 g/mol, XLogP of -0.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]butanoic acid is sourced from PubChem (CID 106341409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).