5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-(hydroxyamino)-2-oxoethyl] pentanedioate

C11H14N2O8 — CID 87746773

IUPAC5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-(hydroxyamino)-2-oxoethyl] pentanedioate
SMILESO=C(COC(=O)CCCC(=O)ON1C(=O)CCC1=O)NO
InChIInChI=1S/C11H14N2O8/c14-7(12-19)6-20-10(17)2-1-3-11(18)21-13-8(15)4-5-9(13)16/h19H,1-6H2,(H,12,14)
InChIKeyRGIUKCNZVHDXOA-UHFFFAOYSA-N
MW302.24 g/mol
LogP-1.19
Rot. Bonds7

About 5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-(hydroxyamino)-2-oxoethyl] pentanedioate

5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-(hydroxyamino)-2-oxoethyl] pentanedioate (PubChem CID 87746773) has the molecular formula C11H14N2O8 and a molecular weight of 302.24 g/mol. Its IUPAC name is 5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-(hydroxyamino)-2-oxoethyl] pentanedioate.

Molecular Properties

Compound Name5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-(hydroxyamino)-2-oxoethyl] pentanedioate
PubChem CID87746773
Molecular FormulaC11H14N2O8
Molecular Weight302.24 g/mol
Exact Mass302.08
IUPAC Name5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-(hydroxyamino)-2-oxoethyl] pentanedioate
SMILESO=C(COC(=O)CCCC(=O)ON1C(=O)CCC1=O)NO
InChIInChI=1S/C11H14N2O8/c14-7(12-19)6-20-10(17)2-1-3-11(18)21-13-8(15)4-5-9(13)16/h19H,1-6H2,(H,12,14)
InChIKeyRGIUKCNZVHDXOA-UHFFFAOYSA-N
XLogP-1.19
TPSA139.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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
(2,5-dioxopyrrolidin-1-yl) 6-[4-(2,5-dioxopyrrolidin-1-yl)oxypent-4-enoyloxy]-5-oxohexanoate
CID 158782914
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate
CID 88545010
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate
CID 129055925
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920
(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
CID 86194285
(2,5-dioxopyrrolidin-1-yl) 6-[2-[6-(2,5-dioxopyrrolidin-1-yl)oxy-2,6-dioxohexoxy]ethoxy]-5-oxohexanoate
CID 163776671
10-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) decanedioate
CID 174881111
(2,5-dioxopyrrolidin-1-yl) 4-phosphanylbutanoate
CID 88947162
(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate
CID 87104242
(2,5-dioxopyrrolidin-1-yl) 6-bromo-5-oxohexanoate
CID 149046633

Frequently Asked Questions

What is the IUPAC name of 5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-(hydroxyamino)-2-oxoethyl] pentanedioate?
The IUPAC name of 5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-(hydroxyamino)-2-oxoethyl] pentanedioate (CID 87746773) is 5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-(hydroxyamino)-2-oxoethyl] pentanedioate.
What is the SMILES notation for 5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-(hydroxyamino)-2-oxoethyl] pentanedioate?
The canonical SMILES for 5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-(hydroxyamino)-2-oxoethyl] pentanedioate is O=C(COC(=O)CCCC(=O)ON1C(=O)CCC1=O)NO.
What is the InChIKey of 5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-(hydroxyamino)-2-oxoethyl] pentanedioate?
The InChIKey is RGIUKCNZVHDXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O8/c14-7(12-19)6-20-10(17)2-1-3-11(18)21-13-8(15)4-5-9(13)16/h19H,1-6H2,(H,12,14).
What are the key properties of 5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-(hydroxyamino)-2-oxoethyl] pentanedioate?
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-(hydroxyamino)-2-oxoethyl] pentanedioate has a molecular weight of 302.24 g/mol, XLogP of -1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-(hydroxyamino)-2-oxoethyl] pentanedioate is sourced from PubChem (CID 87746773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).