2-[2-[(3-ethoxy-3-oxopropyl)sulfonylamino]ethoxy]acetic acid

C9H17NO7S — CID 79457741

IUPAC2-[2-[(3-ethoxy-3-oxopropyl)sulfonylamino]ethoxy]acetic acid
SMILESCCOC(=O)CCS(=O)(=O)NCCOCC(=O)O
InChIInChI=1S/C9H17NO7S/c1-2-17-9(13)3-6-18(14,15)10-4-5-16-7-8(11)12/h10H,2-7H2,1H3,(H,11,12)
InChIKeyMWTHBTDVWCEHLP-UHFFFAOYSA-N
MW283.30 g/mol
LogP-1.04
Rot. Bonds10

About 2-[2-[(3-ethoxy-3-oxopropyl)sulfonylamino]ethoxy]acetic acid

2-[2-[(3-ethoxy-3-oxopropyl)sulfonylamino]ethoxy]acetic acid (PubChem CID 79457741) has the molecular formula C9H17NO7S and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-[2-[(3-ethoxy-3-oxopropyl)sulfonylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-ethoxy-3-oxopropyl)sulfonylamino]ethoxy]acetic acid
PubChem CID79457741
Molecular FormulaC9H17NO7S
Molecular Weight283.30 g/mol
Exact Mass283.07
IUPAC Name2-[2-[(3-ethoxy-3-oxopropyl)sulfonylamino]ethoxy]acetic acid
SMILESCCOC(=O)CCS(=O)(=O)NCCOCC(=O)O
InChIInChI=1S/C9H17NO7S/c1-2-17-9(13)3-6-18(14,15)10-4-5-16-7-8(11)12/h10H,2-7H2,1H3,(H,11,12)
InChIKeyMWTHBTDVWCEHLP-UHFFFAOYSA-N
XLogP-1.04
TPSA119.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
ethyl 3-(2-cyanoethylsulfamoyl)propanoate
CID 62653299
methyl 6-[(3-ethoxy-3-oxopropyl)sulfonylamino]hexanoate
CID 61459374
4-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3-methylbutanoic acid
CID 81065562
2-[2-(2-methylpropylsulfonylamino)ethoxy]acetic acid
CID 79457640
2-[1-[[(3-ethoxy-3-oxopropyl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81164998
ethyl 3-[3-(cyclopropylamino)propylsulfamoyl]propanoate
CID 54951121
3-(2-ethoxyethylsulfonylamino)propanoic acid
CID 63245952
ethyl 3-(2-aminobutylsulfamoyl)propanoate
CID 63730554
2-[2-(dipropylsulfamoylamino)ethoxy]acetic acid
CID 79457740
2-[2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79463361
ethyl 3-(chloromethylsulfonylamino)propanoate
CID 63664767

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-ethoxy-3-oxopropyl)sulfonylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(3-ethoxy-3-oxopropyl)sulfonylamino]ethoxy]acetic acid (CID 79457741) is 2-[2-[(3-ethoxy-3-oxopropyl)sulfonylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(3-ethoxy-3-oxopropyl)sulfonylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(3-ethoxy-3-oxopropyl)sulfonylamino]ethoxy]acetic acid is CCOC(=O)CCS(=O)(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-[(3-ethoxy-3-oxopropyl)sulfonylamino]ethoxy]acetic acid?
The InChIKey is MWTHBTDVWCEHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO7S/c1-2-17-9(13)3-6-18(14,15)10-4-5-16-7-8(11)12/h10H,2-7H2,1H3,(H,11,12).
What are the key properties of 2-[2-[(3-ethoxy-3-oxopropyl)sulfonylamino]ethoxy]acetic acid?
2-[2-[(3-ethoxy-3-oxopropyl)sulfonylamino]ethoxy]acetic acid has a molecular weight of 283.30 g/mol, XLogP of -1.04, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-ethoxy-3-oxopropyl)sulfonylamino]ethoxy]acetic acid is sourced from PubChem (CID 79457741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).