2-[2-(2-methylpropylsulfonylamino)ethoxy]acetic acid

C8H17NO5S — CID 79457640

IUPAC2-[2-(2-methylpropylsulfonylamino)ethoxy]acetic acid
SMILESCC(C)CS(=O)(=O)NCCOCC(=O)O
InChIInChI=1S/C8H17NO5S/c1-7(2)6-15(12,13)9-3-4-14-5-8(10)11/h7,9H,3-6H2,1-2H3,(H,10,11)
InChIKeyLTRKQFKIEDQUBI-UHFFFAOYSA-N
MW239.29 g/mol
LogP-0.34
Rot. Bonds8

About 2-[2-(2-methylpropylsulfonylamino)ethoxy]acetic acid

2-[2-(2-methylpropylsulfonylamino)ethoxy]acetic acid (PubChem CID 79457640) has the molecular formula C8H17NO5S and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-[2-(2-methylpropylsulfonylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methylpropylsulfonylamino)ethoxy]acetic acid
PubChem CID79457640
Molecular FormulaC8H17NO5S
Molecular Weight239.29 g/mol
Exact Mass239.08
IUPAC Name2-[2-(2-methylpropylsulfonylamino)ethoxy]acetic acid
SMILESCC(C)CS(=O)(=O)NCCOCC(=O)O
InChIInChI=1S/C8H17NO5S/c1-7(2)6-15(12,13)9-3-4-14-5-8(10)11/h7,9H,3-6H2,1-2H3,(H,10,11)
InChIKeyLTRKQFKIEDQUBI-UHFFFAOYSA-N
XLogP-0.34
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
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-(2-ethoxyethylsulfonylamino)ethoxy]acetic acid
CID 79457546
2-[2-[(3-ethoxy-3-oxopropyl)sulfonylamino]ethoxy]acetic acid
CID 79457741
2-[2-(1-cyanopropylsulfonylamino)ethoxy]acetic acid
CID 79457178
2-[2-(dipropylsulfamoylamino)ethoxy]acetic acid
CID 79457740
2-[2-(2,3-dimethylbutanoylamino)ethoxy]acetic acid
CID 79456707
2-[2-[2-(3-methylbutoxy)ethylcarbamoylamino]ethoxy]acetic acid
CID 79463945
2-[1-[2-(propan-2-ylsulfonylamino)ethoxy]propan-2-ylsulfonylamino]acetic acid
CID 129167583
2-[2-[[(2S)-2-amino-3-methylbutanoyl]amino]ethoxy]acetic acid
CID 79457033
2-[2-(3-methylbutoxy)ethoxy]acetic acid
CID 112692943
lithium;2-methylpropane;2-(2-methylpropoxy)acetic acid
CID 161153037
2-[2-(carboxymethoxy)ethoxy]acetic acid;sulfuric acid
CID 90826502
2-[2-[[methyl(2-methylpropyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463536

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropylsulfonylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-(2-methylpropylsulfonylamino)ethoxy]acetic acid (CID 79457640) is 2-[2-(2-methylpropylsulfonylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(2-methylpropylsulfonylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(2-methylpropylsulfonylamino)ethoxy]acetic acid is CC(C)CS(=O)(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-(2-methylpropylsulfonylamino)ethoxy]acetic acid?
The InChIKey is LTRKQFKIEDQUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO5S/c1-7(2)6-15(12,13)9-3-4-14-5-8(10)11/h7,9H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 2-[2-(2-methylpropylsulfonylamino)ethoxy]acetic acid?
2-[2-(2-methylpropylsulfonylamino)ethoxy]acetic acid has a molecular weight of 239.29 g/mol, XLogP of -0.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropylsulfonylamino)ethoxy]acetic acid is sourced from PubChem (CID 79457640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).