2-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-4-methoxybutanoic acid

C10H21N3O6S — CID 106341273

IUPAC2-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)NCCS(=O)(=O)N(C)C)C(=O)O
InChIInChI=1S/C10H21N3O6S/c1-13(2)20(17,18)7-5-11-10(16)12-8(9(14)15)4-6-19-3/h8H,4-7H2,1-3H3,(H,14,15)(H2,11,12,16)
InChIKeySLWSGZWXILPXJI-UHFFFAOYSA-N
MW311.36 g/mol
LogP-1.33
Rot. Bonds9

About 2-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-4-methoxybutanoic acid

2-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-4-methoxybutanoic acid (PubChem CID 106341273) has the molecular formula C10H21N3O6S and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-4-methoxybutanoic acid
PubChem CID106341273
Molecular FormulaC10H21N3O6S
Molecular Weight311.36 g/mol
Exact Mass311.12
IUPAC Name2-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)NCCS(=O)(=O)N(C)C)C(=O)O
InChIInChI=1S/C10H21N3O6S/c1-13(2)20(17,18)7-5-11-10(16)12-8(9(14)15)4-6-19-3/h8H,4-7H2,1-3H3,(H,14,15)(H2,11,12,16)
InChIKeySLWSGZWXILPXJI-UHFFFAOYSA-N
XLogP-1.33
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-2-(2-methylsulfonylethylcarbamoylamino)pentanoic acid
CID 81085605
5-methoxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid
CID 106340722
2-(2-ethoxyethylcarbamoylamino)-4-methoxybutanoic acid
CID 62478307
2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methoxybutanoic acid
CID 62480257
2-amino-N-[2-(dimethylsulfamoyl)ethyl]-4-methoxybutanamide
CID 106337528
3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-methylbutanoic acid
CID 114175825
4-methoxy-2-[[3-oxo-3-(propylamino)propyl]carbamoylamino]butanoic acid
CID 62473070
4-methoxy-2-[(2-methoxy-2-oxoethyl)carbamoylamino]butanoic acid
CID 55076531
4-methoxy-2-(4-propan-2-yloxybutylcarbamoylamino)butanoic acid
CID 106004415
2-[3-(dimethylamino)propylcarbamoylamino]-5-methoxypentanoic acid
CID 81085258
(2S)-2-(3-methoxypropylcarbamoylamino)pentanoic acid
CID 107566134
(2R)-5-methoxy-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
CID 107825526

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-4-methoxybutanoic acid?
The IUPAC name of 2-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-4-methoxybutanoic acid (CID 106341273) is 2-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-4-methoxybutanoic acid is COCCC(NC(=O)NCCS(=O)(=O)N(C)C)C(=O)O.
What is the InChIKey of 2-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-4-methoxybutanoic acid?
The InChIKey is SLWSGZWXILPXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O6S/c1-13(2)20(17,18)7-5-11-10(16)12-8(9(14)15)4-6-19-3/h8H,4-7H2,1-3H3,(H,14,15)(H2,11,12,16).
What are the key properties of 2-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-4-methoxybutanoic acid?
2-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-4-methoxybutanoic acid has a molecular weight of 311.36 g/mol, XLogP of -1.33, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-4-methoxybutanoic acid is sourced from PubChem (CID 106341273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).