2-(3-ethylsulfonylpropylcarbamoylamino)pentanoic acid

C11H22N2O5S — CID 65093773

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

About 2-(3-ethylsulfonylpropylcarbamoylamino)pentanoic acid

2-(3-ethylsulfonylpropylcarbamoylamino)pentanoic acid (PubChem CID 65093773) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-(3-ethylsulfonylpropylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name2-(3-ethylsulfonylpropylcarbamoylamino)pentanoic acid
PubChem CID65093773
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Name2-(3-ethylsulfonylpropylcarbamoylamino)pentanoic acid
SMILESCCCC(NC(=O)NCCCS(=O)(=O)CC)C(=O)O
InChIInChI=1S/C11H22N2O5S/c1-3-6-9(10(14)15)13-11(16)12-7-5-8-19(17,18)4-2/h9H,3-8H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyWSFLWWAUIQUZFM-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-propylsulfonylethylcarbamoylamino)pentanoic acid
CID 106722812
2-(3-ethylsulfonylpropylcarbamoylamino)-4-methylpentanoic acid
CID 65093772
(2S)-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid
CID 106340510
(2S)-2-[(4-amino-4-oxobutyl)carbamoylamino]pentanoic acid
CID 107566288
(2S)-2-(butylcarbamoylamino)hexanoic acid
CID 107144861
(2S)-2-(3-methoxypropylcarbamoylamino)pentanoic acid
CID 107566134
(2R)-2-(3-methylsulfanylpropylcarbamoylamino)pentanoic acid
CID 107567041
(2R)-2-[4-(dimethylamino)butylcarbamoylamino]pentanoic acid
CID 107566736
(2R)-4-hydroxy-2-(3-methylsulfonylpropylcarbamoylamino)butanoic acid
CID 107827205
(2R)-2-(2-acetamidoethylcarbamoylamino)pentanoic acid
CID 107566228
2-(5-methoxypentylcarbamoylamino)pentanoic acid
CID 113363777
2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]pentanoic acid
CID 61180979

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonylpropylcarbamoylamino)pentanoic acid?
The IUPAC name of 2-(3-ethylsulfonylpropylcarbamoylamino)pentanoic acid (CID 65093773) is 2-(3-ethylsulfonylpropylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 2-(3-ethylsulfonylpropylcarbamoylamino)pentanoic acid?
The canonical SMILES for 2-(3-ethylsulfonylpropylcarbamoylamino)pentanoic acid is CCCC(NC(=O)NCCCS(=O)(=O)CC)C(=O)O.
What is the InChIKey of 2-(3-ethylsulfonylpropylcarbamoylamino)pentanoic acid?
The InChIKey is WSFLWWAUIQUZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-3-6-9(10(14)15)13-11(16)12-7-5-8-19(17,18)4-2/h9H,3-8H2,1-2H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-(3-ethylsulfonylpropylcarbamoylamino)pentanoic acid?
2-(3-ethylsulfonylpropylcarbamoylamino)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-(3-ethylsulfonylpropylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 65093773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).