5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid;ethane-1,2-diol;ethyl carbamate

C14H24N2O10 — CID 87746221

IUPAC5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid;ethane-1,2-diol;ethyl carbamate
SMILESCCOC(N)=O.O=C(O)CCCC(=O)ON1C(=O)CCC1=O.OCCO
InChIInChI=1S/C9H11NO6.C3H7NO2.C2H6O2/c11-6-4-5-7(12)10(6)16-9(15)3-1-2-8(13)14;1-2-6-3(4)5;3-1-2-4/h1-5H2,(H,13,14);2H2,1H3,(H2,4,5);3-4H,1-2H2
InChIKeyCHWRMDKYNUVIDK-UHFFFAOYSA-N
MW380.35 g/mol
LogP-1.08
Rot. Bonds7

About 5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid;ethane-1,2-diol;ethyl carbamate

5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid;ethane-1,2-diol;ethyl carbamate (PubChem CID 87746221) has the molecular formula C14H24N2O10 and a molecular weight of 380.35 g/mol. Its IUPAC name is 5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid;ethane-1,2-diol;ethyl carbamate.

Molecular Properties

Compound Name5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid;ethane-1,2-diol;ethyl carbamate
PubChem CID87746221
Molecular FormulaC14H24N2O10
Molecular Weight380.35 g/mol
Exact Mass380.14
IUPAC Name5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid;ethane-1,2-diol;ethyl carbamate
SMILESCCOC(N)=O.O=C(O)CCCC(=O)ON1C(=O)CCC1=O.OCCO
InChIInChI=1S/C9H11NO6.C3H7NO2.C2H6O2/c11-6-4-5-7(12)10(6)16-9(15)3-1-2-8(13)14;1-2-6-3(4)5;3-1-2-4/h1-5H2,(H,13,14);2H2,1H3,(H2,4,5);3-4H,1-2H2
InChIKeyCHWRMDKYNUVIDK-UHFFFAOYSA-N
XLogP-1.08
TPSA193.76 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid
CID 155487576
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate
CID 88545010
(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate
CID 87104242
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
10-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) decanedioate
CID 174881111
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) 4-iodobutanoate
CID 86194285
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) 8-oxononanoate
CID 88976208
3-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]propanoic acid
CID 121295380

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid;ethane-1,2-diol;ethyl carbamate?
The IUPAC name of 5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid;ethane-1,2-diol;ethyl carbamate (CID 87746221) is 5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid;ethane-1,2-diol;ethyl carbamate.
What is the SMILES notation for 5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid;ethane-1,2-diol;ethyl carbamate?
The canonical SMILES for 5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid;ethane-1,2-diol;ethyl carbamate is CCOC(N)=O.O=C(O)CCCC(=O)ON1C(=O)CCC1=O.OCCO.
What is the InChIKey of 5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid;ethane-1,2-diol;ethyl carbamate?
The InChIKey is CHWRMDKYNUVIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO6.C3H7NO2.C2H6O2/c11-6-4-5-7(12)10(6)16-9(15)3-1-2-8(13)14;1-2-6-3(4)5;3-1-2-4/h1-5H2,(H,13,14);2H2,1H3,(H2,4,5);3-4H,1-2H2.
What are the key properties of 5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid;ethane-1,2-diol;ethyl carbamate?
5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid;ethane-1,2-diol;ethyl carbamate has a molecular weight of 380.35 g/mol, XLogP of -1.08, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid;ethane-1,2-diol;ethyl carbamate is sourced from PubChem (CID 87746221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).