2-(2-propylsulfonylethylcarbamoylamino)pentanoic acid

C11H22N2O5S — CID 106722812

IUPAC2-(2-propylsulfonylethylcarbamoylamino)pentanoic acid
SMILESCCCC(NC(=O)NCCS(=O)(=O)CCC)C(=O)O
InChIInChI=1S/C11H22N2O5S/c1-3-5-9(10(14)15)13-11(16)12-6-8-19(17,18)7-4-2/h9H,3-8H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyIJHYWCBLHRVJTD-UHFFFAOYSA-N
MW294.37 g/mol
LogP0.36
Rot. Bonds9

About 2-(2-propylsulfonylethylcarbamoylamino)pentanoic acid

2-(2-propylsulfonylethylcarbamoylamino)pentanoic acid (PubChem CID 106722812) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-(2-propylsulfonylethylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name2-(2-propylsulfonylethylcarbamoylamino)pentanoic acid
PubChem CID106722812
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Name2-(2-propylsulfonylethylcarbamoylamino)pentanoic acid
SMILESCCCC(NC(=O)NCCS(=O)(=O)CCC)C(=O)O
InChIInChI=1S/C11H22N2O5S/c1-3-5-9(10(14)15)13-11(16)12-6-8-19(17,18)7-4-2/h9H,3-8H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyIJHYWCBLHRVJTD-UHFFFAOYSA-N
XLogP0.36
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethylsulfonylpropylcarbamoylamino)pentanoic acid
CID 65093773
(2S)-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid
CID 106340510
2-(2-propylsulfonylethylcarbamoylamino)propanoic acid
CID 106722813
2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]pentanoic acid
CID 61180979
(2S)-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]pentanoic acid
CID 107565891
(2R)-2-(2-acetamidoethylcarbamoylamino)pentanoic acid
CID 107566228
(2S)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]pentanoic acid
CID 107566847
(2S)-2-(3,3-dimethylbutylcarbamoylamino)pentanoic acid
CID 94208084
(2R)-2-[4-(dimethylamino)butylcarbamoylamino]pentanoic acid
CID 107566736
(2S)-2-[(4-amino-4-oxobutyl)carbamoylamino]pentanoic acid
CID 107566288
2-[2-(methylsulfamoyl)ethylcarbamoylamino]-4-methylsulfonylbutanoic acid
CID 106340544
(2S)-2-[2-[butan-2-yl(methyl)amino]ethylcarbamoylamino]pentanoic acid
CID 114134201

Frequently Asked Questions

What is the IUPAC name of 2-(2-propylsulfonylethylcarbamoylamino)pentanoic acid?
The IUPAC name of 2-(2-propylsulfonylethylcarbamoylamino)pentanoic acid (CID 106722812) is 2-(2-propylsulfonylethylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 2-(2-propylsulfonylethylcarbamoylamino)pentanoic acid?
The canonical SMILES for 2-(2-propylsulfonylethylcarbamoylamino)pentanoic acid is CCCC(NC(=O)NCCS(=O)(=O)CCC)C(=O)O.
What is the InChIKey of 2-(2-propylsulfonylethylcarbamoylamino)pentanoic acid?
The InChIKey is IJHYWCBLHRVJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-3-5-9(10(14)15)13-11(16)12-6-8-19(17,18)7-4-2/h9H,3-8H2,1-2H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-(2-propylsulfonylethylcarbamoylamino)pentanoic acid?
2-(2-propylsulfonylethylcarbamoylamino)pentanoic acid has a molecular weight of 294.37 g/mol, XLogP of 0.36, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylsulfonylethylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 106722812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).