(2,5-dioxopyrrolidin-1-yl) 7-[2-[(2Z)-2-hydroxyiminoethoxy]ethoxy]-4-oxoheptanoate

C15H22N2O8 — CID 123274053

IUPAC(2,5-dioxopyrrolidin-1-yl) 7-[2-[(2Z)-2-hydroxyiminoethoxy]ethoxy]-4-oxoheptanoate
SMILESO=C(CCCOCCOC/C=N\O)CCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H22N2O8/c18-12(2-1-8-23-10-11-24-9-7-16-22)3-6-15(21)25-17-13(19)4-5-14(17)20/h7,22H,1-6,8-11H2/b16-7-
InChIKeyDLZBEDOAQMWURD-APSNUPSMSA-N
MW358.35 g/mol
LogP0.22
Rot. Bonds13

About (2,5-dioxopyrrolidin-1-yl) 7-[2-[(2Z)-2-hydroxyiminoethoxy]ethoxy]-4-oxoheptanoate

(2,5-dioxopyrrolidin-1-yl) 7-[2-[(2Z)-2-hydroxyiminoethoxy]ethoxy]-4-oxoheptanoate (PubChem CID 123274053) has the molecular formula C15H22N2O8 and a molecular weight of 358.35 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 7-[2-[(2Z)-2-hydroxyiminoethoxy]ethoxy]-4-oxoheptanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 7-[2-[(2Z)-2-hydroxyiminoethoxy]ethoxy]-4-oxoheptanoate
PubChem CID123274053
Molecular FormulaC15H22N2O8
Molecular Weight358.35 g/mol
Exact Mass358.14
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 7-[2-[(2Z)-2-hydroxyiminoethoxy]ethoxy]-4-oxoheptanoate
SMILESO=C(CCCOCCOC/C=N\O)CCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H22N2O8/c18-12(2-1-8-23-10-11-24-9-7-16-22)3-6-15(21)25-17-13(19)4-5-14(17)20/h7,22H,1-6,8-11H2/b16-7-
InChIKeyDLZBEDOAQMWURD-APSNUPSMSA-N
XLogP0.22
TPSA131.80 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 9-[3-[9-(2,5-dioxopyrrolidin-1-yl)oxy-3,6,9-trioxononoxy]propoxy]-4,7-dioxononanoate
CID 158122544
bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
CID 87362127
(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]propanoate
CID 13055590
4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[3-[3-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]oxypropoxy]propyl] butanedioate
CID 160965855
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(4-bromobut-2-enoxy)ethoxy]ethoxy]ethoxy]propanoate
CID 118797091
(2,5-dioxopyrrolidin-1-yl) 4-(3-oxopropoxy)butanoate
CID 139256325
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 160762335
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;methane
CID 161065526
(2,5-dioxopyrrolidin-1-yl) 6-[2-[6-(2,5-dioxopyrrolidin-1-yl)oxy-2,6-dioxohexoxy]ethoxy]-5-oxohexanoate
CID 163776671
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[2-[2-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]oxyethoxy]ethoxy]ethyl] pentanedioate
CID 162161895
CID 166022973
CID 166022973
4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-(3-ethoxypropoxy)ethyl] butanedioate
CID 58559852

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 7-[2-[(2Z)-2-hydroxyiminoethoxy]ethoxy]-4-oxoheptanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 7-[2-[(2Z)-2-hydroxyiminoethoxy]ethoxy]-4-oxoheptanoate (CID 123274053) is (2,5-dioxopyrrolidin-1-yl) 7-[2-[(2Z)-2-hydroxyiminoethoxy]ethoxy]-4-oxoheptanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 7-[2-[(2Z)-2-hydroxyiminoethoxy]ethoxy]-4-oxoheptanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 7-[2-[(2Z)-2-hydroxyiminoethoxy]ethoxy]-4-oxoheptanoate is O=C(CCCOCCOC/C=N\O)CCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 7-[2-[(2Z)-2-hydroxyiminoethoxy]ethoxy]-4-oxoheptanoate?
The InChIKey is DLZBEDOAQMWURD-APSNUPSMSA-N. The full InChI is InChI=1S/C15H22N2O8/c18-12(2-1-8-23-10-11-24-9-7-16-22)3-6-15(21)25-17-13(19)4-5-14(17)20/h7,22H,1-6,8-11H2/b16-7-.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 7-[2-[(2Z)-2-hydroxyiminoethoxy]ethoxy]-4-oxoheptanoate?
(2,5-dioxopyrrolidin-1-yl) 7-[2-[(2Z)-2-hydroxyiminoethoxy]ethoxy]-4-oxoheptanoate has a molecular weight of 358.35 g/mol, XLogP of 0.22, 13 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 7-[2-[(2Z)-2-hydroxyiminoethoxy]ethoxy]-4-oxoheptanoate is sourced from PubChem (CID 123274053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).