2-[[2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetyl]amino]ethanesulfonic acid

C11H18N2O10S — CID 91492503

IUPAC2-[[2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetyl]amino]ethanesulfonic acid
SMILESO=C(COCOCCOON1C(=O)CCC1=O)NCCS(=O)(=O)O
InChIInChI=1S/C11H18N2O10S/c14-9(12-3-6-24(17,18)19)7-21-8-20-4-5-22-23-13-10(15)1-2-11(13)16/h1-8H2,(H,12,14)(H,17,18,19)
InChIKeyQLTCTYGDAVFWKU-UHFFFAOYSA-N
MW370.34 g/mol
LogP-2.01
Rot. Bonds12

About 2-[[2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetyl]amino]ethanesulfonic acid

2-[[2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetyl]amino]ethanesulfonic acid (PubChem CID 91492503) has the molecular formula C11H18N2O10S and a molecular weight of 370.34 g/mol. Its IUPAC name is 2-[[2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetyl]amino]ethanesulfonic acid.

Molecular Properties

Compound Name2-[[2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetyl]amino]ethanesulfonic acid
PubChem CID91492503
Molecular FormulaC11H18N2O10S
Molecular Weight370.34 g/mol
Exact Mass370.07
IUPAC Name2-[[2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetyl]amino]ethanesulfonic acid
SMILESO=C(COCOCCOON1C(=O)CCC1=O)NCCS(=O)(=O)O
InChIInChI=1S/C11H18N2O10S/c14-9(12-3-6-24(17,18)19)7-21-8-20-4-5-22-23-13-10(15)1-2-11(13)16/h1-8H2,(H,12,14)(H,17,18,19)
InChIKeyQLTCTYGDAVFWKU-UHFFFAOYSA-N
XLogP-2.01
TPSA157.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 5-2.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetate;1-[2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetyl]aziridine-2-sulfonic acid
CID 159021328
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]acetyl]amino]ethylamino]-2-oxoethoxy]acetate
CID 11092123
1-(2-methoxyethylperoxy)pyrrolidine-2,5-dione
CID 154979386
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetate
CID 59616514
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[4-(2,5-dioxopyrrol-1-yl)butylamino]-2-oxoethoxy]ethoxy]acetate
CID 59709155
(2,5-dioxopyrrolidin-1-yl) 2-[2-(5-methylhexylamino)-2-oxoethoxy]acetate
CID 88864820
2-[(2-bromoacetyl)amino]ethanesulfonic acid
CID 19908000
2-[2-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethoxy]ethoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 574581
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[[2-[2-(4-oxopentoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetate
CID 157314738
(2-hydroxy-5-oxopyrrolidin-1-yl) 8-[[2-[2-[2-[2-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]octanoate
CID 129183103
N-butyl-2-ethoxyacetamide;(2,5-dioxopyrrolidin-1-yl) 2-ethoxyacetate
CID 162199414
(2,5-dioxopyrrolidin-1-yl) 3-[2-[(2-iodoacetyl)amino]ethylsulfonyl]propanoate
CID 134455267

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetyl]amino]ethanesulfonic acid?
The IUPAC name of 2-[[2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetyl]amino]ethanesulfonic acid (CID 91492503) is 2-[[2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetyl]amino]ethanesulfonic acid.
What is the SMILES notation for 2-[[2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetyl]amino]ethanesulfonic acid?
The canonical SMILES for 2-[[2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetyl]amino]ethanesulfonic acid is O=C(COCOCCOON1C(=O)CCC1=O)NCCS(=O)(=O)O.
What is the InChIKey of 2-[[2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetyl]amino]ethanesulfonic acid?
The InChIKey is QLTCTYGDAVFWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O10S/c14-9(12-3-6-24(17,18)19)7-21-8-20-4-5-22-23-13-10(15)1-2-11(13)16/h1-8H2,(H,12,14)(H,17,18,19).
What are the key properties of 2-[[2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetyl]amino]ethanesulfonic acid?
2-[[2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetyl]amino]ethanesulfonic acid has a molecular weight of 370.34 g/mol, XLogP of -2.01, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetyl]amino]ethanesulfonic acid is sourced from PubChem (CID 91492503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).