3-[2-(ethylsulfamoyl)ethylcarbamoylamino]-2-methylpropanoic acid

C9H19N3O5S — CID 106340861

IUPAC3-[2-(ethylsulfamoyl)ethylcarbamoylamino]-2-methylpropanoic acid
SMILESCCNS(=O)(=O)CCNC(=O)NCC(C)C(=O)O
InChIInChI=1S/C9H19N3O5S/c1-3-12-18(16,17)5-4-10-9(15)11-6-7(2)8(13)14/h7,12H,3-6H2,1-2H3,(H,13,14)(H2,10,11,15)
InChIKeyHARMGJPDFRVLRL-UHFFFAOYSA-N
MW281.33 g/mol
LogP-1.05
Rot. Bonds8

About 3-[2-(ethylsulfamoyl)ethylcarbamoylamino]-2-methylpropanoic acid

3-[2-(ethylsulfamoyl)ethylcarbamoylamino]-2-methylpropanoic acid (PubChem CID 106340861) has the molecular formula C9H19N3O5S and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-[2-(ethylsulfamoyl)ethylcarbamoylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-(ethylsulfamoyl)ethylcarbamoylamino]-2-methylpropanoic acid
PubChem CID106340861
Molecular FormulaC9H19N3O5S
Molecular Weight281.33 g/mol
Exact Mass281.10
IUPAC Name3-[2-(ethylsulfamoyl)ethylcarbamoylamino]-2-methylpropanoic acid
SMILESCCNS(=O)(=O)CCNC(=O)NCC(C)C(=O)O
InChIInChI=1S/C9H19N3O5S/c1-3-12-18(16,17)5-4-10-9(15)11-6-7(2)8(13)14/h7,12H,3-6H2,1-2H3,(H,13,14)(H2,10,11,15)
InChIKeyHARMGJPDFRVLRL-UHFFFAOYSA-N
XLogP-1.05
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide
CID 106335463
(2S)-2-[2-(ethylsulfamoyl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 113363904
3-(ethylcarbamoylamino)-2-methylpropanoic acid
CID 62674990
2-amino-N-[2-(ethylsulfamoyl)ethyl]propanamide
CID 103796449
N-[2-(ethylsulfamoyl)ethyl]-3-methyl-2-sulfanylbutanamide
CID 106340115
4-[2-(ethylsulfamoyl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 106340043
3-[3-(ethylamino)propanoylamino]-2-methylpropanoic acid
CID 62836532
2-methyl-3-(2-methylsulfanylethylcarbamoylamino)propanoic acid
CID 63957265
N-[2-(ethylsulfamoyl)ethyl]-4-hydroxypentanamide
CID 106342894
(2S)-2-amino-N-[2-(ethylsulfamoyl)ethyl]-3-methylpentanamide
CID 103833076
3-(2,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid
CID 64597206
2-bromo-N-[2-(ethylsulfamoyl)ethyl]acetamide
CID 106335462

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylsulfamoyl)ethylcarbamoylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[2-(ethylsulfamoyl)ethylcarbamoylamino]-2-methylpropanoic acid (CID 106340861) is 3-[2-(ethylsulfamoyl)ethylcarbamoylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-(ethylsulfamoyl)ethylcarbamoylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-(ethylsulfamoyl)ethylcarbamoylamino]-2-methylpropanoic acid is CCNS(=O)(=O)CCNC(=O)NCC(C)C(=O)O.
What is the InChIKey of 3-[2-(ethylsulfamoyl)ethylcarbamoylamino]-2-methylpropanoic acid?
The InChIKey is HARMGJPDFRVLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O5S/c1-3-12-18(16,17)5-4-10-9(15)11-6-7(2)8(13)14/h7,12H,3-6H2,1-2H3,(H,13,14)(H2,10,11,15).
What are the key properties of 3-[2-(ethylsulfamoyl)ethylcarbamoylamino]-2-methylpropanoic acid?
3-[2-(ethylsulfamoyl)ethylcarbamoylamino]-2-methylpropanoic acid has a molecular weight of 281.33 g/mol, XLogP of -1.05, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylsulfamoyl)ethylcarbamoylamino]-2-methylpropanoic acid is sourced from PubChem (CID 106340861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).