4-[2-(ethylsulfamoyl)ethylcarbamoylamino]-4-oxobutanoic acid

C9H17N3O6S — CID 106340043

IUPAC4-[2-(ethylsulfamoyl)ethylcarbamoylamino]-4-oxobutanoic acid
SMILESCCNS(=O)(=O)CCNC(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C9H17N3O6S/c1-2-11-19(17,18)6-5-10-9(16)12-7(13)3-4-8(14)15/h11H,2-6H2,1H3,(H,14,15)(H2,10,12,13,16)
InChIKeyNBGXBVWRJHCHEZ-UHFFFAOYSA-N
MW295.32 g/mol
LogP-1.38
Rot. Bonds8

About 4-[2-(ethylsulfamoyl)ethylcarbamoylamino]-4-oxobutanoic acid

4-[2-(ethylsulfamoyl)ethylcarbamoylamino]-4-oxobutanoic acid (PubChem CID 106340043) has the molecular formula C9H17N3O6S and a molecular weight of 295.32 g/mol. Its IUPAC name is 4-[2-(ethylsulfamoyl)ethylcarbamoylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-(ethylsulfamoyl)ethylcarbamoylamino]-4-oxobutanoic acid
PubChem CID106340043
Molecular FormulaC9H17N3O6S
Molecular Weight295.32 g/mol
Exact Mass295.08
IUPAC Name4-[2-(ethylsulfamoyl)ethylcarbamoylamino]-4-oxobutanoic acid
SMILESCCNS(=O)(=O)CCNC(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C9H17N3O6S/c1-2-11-19(17,18)6-5-10-9(16)12-7(13)3-4-8(14)15/h11H,2-6H2,1H3,(H,14,15)(H2,10,12,13,16)
InChIKeyNBGXBVWRJHCHEZ-UHFFFAOYSA-N
XLogP-1.38
TPSA141.67 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 5-1.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(ethylsulfamoyl)ethylamino]-6-oxohexanoic acid
CID 114174957
4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid
CID 43552577
2-bromo-N-[2-(ethylsulfamoyl)ethyl]acetamide
CID 106335462
3-[2-(ethylsulfamoyl)ethylcarbamoylamino]-2-methylpropanoic acid
CID 106340861
4-[2-(ethylsulfamoyl)ethylcarbamoyl-methylamino]butanoic acid
CID 106340802
4-[2-(ethylsulfamoyl)ethylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 106334761
N-[2-(ethylsulfamoyl)ethyl]-4-hydroxypentanamide
CID 106342894
4-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-4-oxobutanoic acid
CID 28745891
(2S)-2-[2-(ethylsulfamoyl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 113363904
4-(3-methoxypropylcarbamoylamino)-4-oxobutanoic acid
CID 43153371
6-[3-(methanesulfonamido)propylcarbamoylamino]-6-oxohexanoic acid
CID 106340011
7-amino-N-[2-(ethylsulfamoyl)ethyl]heptanamide
CID 113266677

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylsulfamoyl)ethylcarbamoylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[2-(ethylsulfamoyl)ethylcarbamoylamino]-4-oxobutanoic acid (CID 106340043) is 4-[2-(ethylsulfamoyl)ethylcarbamoylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-(ethylsulfamoyl)ethylcarbamoylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[2-(ethylsulfamoyl)ethylcarbamoylamino]-4-oxobutanoic acid is CCNS(=O)(=O)CCNC(=O)NC(=O)CCC(=O)O.
What is the InChIKey of 4-[2-(ethylsulfamoyl)ethylcarbamoylamino]-4-oxobutanoic acid?
The InChIKey is NBGXBVWRJHCHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O6S/c1-2-11-19(17,18)6-5-10-9(16)12-7(13)3-4-8(14)15/h11H,2-6H2,1H3,(H,14,15)(H2,10,12,13,16).
What are the key properties of 4-[2-(ethylsulfamoyl)ethylcarbamoylamino]-4-oxobutanoic acid?
4-[2-(ethylsulfamoyl)ethylcarbamoylamino]-4-oxobutanoic acid has a molecular weight of 295.32 g/mol, XLogP of -1.38, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylsulfamoyl)ethylcarbamoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 106340043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).