2-[tert-butyl-[2-(ethylsulfamoyl)ethylcarbamoyl]amino]acetic acid

C11H23N3O5S — CID 106340782

IUPAC2-[tert-butyl-[2-(ethylsulfamoyl)ethylcarbamoyl]amino]acetic acid
SMILESCCNS(=O)(=O)CCNC(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C11H23N3O5S/c1-5-13-20(18,19)7-6-12-10(17)14(8-9(15)16)11(2,3)4/h13H,5-8H2,1-4H3,(H,12,17)(H,15,16)
InChIKeyAQNMQQCAMAYNRS-UHFFFAOYSA-N
MW309.39 g/mol
LogP-0.18
Rot. Bonds7

About 2-[tert-butyl-[2-(ethylsulfamoyl)ethylcarbamoyl]amino]acetic acid

2-[tert-butyl-[2-(ethylsulfamoyl)ethylcarbamoyl]amino]acetic acid (PubChem CID 106340782) has the molecular formula C11H23N3O5S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[tert-butyl-[2-(ethylsulfamoyl)ethylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[2-(ethylsulfamoyl)ethylcarbamoyl]amino]acetic acid
PubChem CID106340782
Molecular FormulaC11H23N3O5S
Molecular Weight309.39 g/mol
Exact Mass309.14
IUPAC Name2-[tert-butyl-[2-(ethylsulfamoyl)ethylcarbamoyl]amino]acetic acid
SMILESCCNS(=O)(=O)CCNC(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C11H23N3O5S/c1-5-13-20(18,19)7-6-12-10(17)14(8-9(15)16)11(2,3)4/h13H,5-8H2,1-4H3,(H,12,17)(H,15,16)
InChIKeyAQNMQQCAMAYNRS-UHFFFAOYSA-N
XLogP-0.18
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[tert-butyl-[3-(diethylamino)propylcarbamoyl]amino]acetic acid
CID 79256585
2-[tert-butyl-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]amino]acetic acid
CID 79256526
4-[2-(ethylsulfamoyl)ethylcarbamoyl-methylamino]butanoic acid
CID 106340802
4-[2-(ethylsulfamoyl)ethylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 106334761
2-[tert-butyl(4,4,4-trifluorobutylcarbamoyl)amino]acetic acid
CID 115521249
2-[tert-butyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid
CID 79256452
2-[tert-butyl-[4-[methyl(propan-2-yl)amino]butylcarbamoyl]amino]acetic acid
CID 79264253
6-[2-(ethylsulfamoyl)ethylamino]-6-oxohexanoic acid
CID 114174957
2-[tert-butyl-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]amino]acetic acid
CID 79256527
2-[tert-butyl(5-methylsulfanylpentylcarbamoyl)amino]acetic acid
CID 114128497
2-[tert-butyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid
CID 113471918
N-[2-(ethylsulfamoyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944363

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[2-(ethylsulfamoyl)ethylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[2-(ethylsulfamoyl)ethylcarbamoyl]amino]acetic acid (CID 106340782) is 2-[tert-butyl-[2-(ethylsulfamoyl)ethylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[2-(ethylsulfamoyl)ethylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[2-(ethylsulfamoyl)ethylcarbamoyl]amino]acetic acid is CCNS(=O)(=O)CCNC(=O)N(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl-[2-(ethylsulfamoyl)ethylcarbamoyl]amino]acetic acid?
The InChIKey is AQNMQQCAMAYNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O5S/c1-5-13-20(18,19)7-6-12-10(17)14(8-9(15)16)11(2,3)4/h13H,5-8H2,1-4H3,(H,12,17)(H,15,16).
What are the key properties of 2-[tert-butyl-[2-(ethylsulfamoyl)ethylcarbamoyl]amino]acetic acid?
2-[tert-butyl-[2-(ethylsulfamoyl)ethylcarbamoyl]amino]acetic acid has a molecular weight of 309.39 g/mol, XLogP of -0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[2-(ethylsulfamoyl)ethylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 106340782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).