(2,5-dioxopyrrolidin-1-yl) 8-hydroxy-5-(2-hydroxyethyl)octanoate;(2,5-dioxopyrrolidin-1-yl) 12-hydroxy-9-(2-hydroxyethyl)-5-oxododecanoate

C32H52N2O13 — CID 167615874

IUPAC(2,5-dioxopyrrolidin-1-yl) 8-hydroxy-5-(2-hydroxyethyl)octanoate;(2,5-dioxopyrrolidin-1-yl) 12-hydroxy-9-(2-hydroxyethyl)-5-oxododecanoate
SMILESO=C(CCCC(=O)ON1C(=O)CCC1=O)CCCC(CCO)CCCO.O=C(CCCC(CCO)CCCO)ON1C(=O)CCC1=O
InChIInChI=1S/C18H29NO7.C14H23NO6/c20-12-3-5-14(11-13-21)4-1-6-15(22)7-2-8-18(25)26-19-16(23)9-10-17(19)24;16-9-2-4-11(8-10-17)3-1-5-14(20)21-15-12(18)6-7-13(15)19/h14,20-21H,1-13H2;11,16-17H,1-10H2
InChIKeyLSQUTUVLBKZZHI-UHFFFAOYSA-N
MW672.77 g/mol
LogP1.81
Rot. Bonds24

About (2,5-dioxopyrrolidin-1-yl) 8-hydroxy-5-(2-hydroxyethyl)octanoate;(2,5-dioxopyrrolidin-1-yl) 12-hydroxy-9-(2-hydroxyethyl)-5-oxododecanoate

(2,5-dioxopyrrolidin-1-yl) 8-hydroxy-5-(2-hydroxyethyl)octanoate;(2,5-dioxopyrrolidin-1-yl) 12-hydroxy-9-(2-hydroxyethyl)-5-oxododecanoate (PubChem CID 167615874) has the molecular formula C32H52N2O13 and a molecular weight of 672.77 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 8-hydroxy-5-(2-hydroxyethyl)octanoate;(2,5-dioxopyrrolidin-1-yl) 12-hydroxy-9-(2-hydroxyethyl)-5-oxododecanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 8-hydroxy-5-(2-hydroxyethyl)octanoate;(2,5-dioxopyrrolidin-1-yl) 12-hydroxy-9-(2-hydroxyethyl)-5-oxododecanoate
PubChem CID167615874
Molecular FormulaC32H52N2O13
Molecular Weight672.77 g/mol
Exact Mass672.35
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 8-hydroxy-5-(2-hydroxyethyl)octanoate;(2,5-dioxopyrrolidin-1-yl) 12-hydroxy-9-(2-hydroxyethyl)-5-oxododecanoate
SMILESO=C(CCCC(=O)ON1C(=O)CCC1=O)CCCC(CCO)CCCO.O=C(CCCC(CCO)CCCO)ON1C(=O)CCC1=O
InChIInChI=1S/C18H29NO7.C14H23NO6/c20-12-3-5-14(11-13-21)4-1-6-15(22)7-2-8-18(25)26-19-16(23)9-10-17(19)24;16-9-2-4-11(8-10-17)3-1-5-14(20)21-15-12(18)6-7-13(15)19/h14,20-21H,1-13H2;11,16-17H,1-10H2
InChIKeyLSQUTUVLBKZZHI-UHFFFAOYSA-N
XLogP1.81
TPSA225.35 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds24
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.77
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 9-[[5-hydroxy-2-(2-hydroxyethyl)pentoxy]carbonylamino]-5-oxononanoate;(2,5-dioxopyrrolidin-1-yl) 5-[[5-hydroxy-2-(2-hydroxyethyl)pentoxy]carbonylamino]pentanoate
CID 162194756
(2,5-dioxopyrrolidin-1-yl) 6-bromo-5-oxohexanoate
CID 149046633
(2,5-dioxopyrrolidin-1-yl) 3-hydroxypropanoate;(2,5-dioxopyrrolidin-1-yl) 5-methylhexanoate;3-methylbutan-1-ol
CID 144847954
carbon dioxide;(2,5-dioxopyrrolidin-1-yl) 7-hydroxy-5-oxoheptanoate;1-(3-hydroxypropyl)pyrrolidine-2,5-dione
CID 161120743
(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate
CID 87104242
bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
CID 87362127
(2,5-dioxopyrrolidin-1-yl) 8,8-dimethyl-5-oxononanoate
CID 147058530
(2,5-dioxopyrrolidin-1-yl) 6-[2-[6-(2,5-dioxopyrrolidin-1-yl)oxy-2,6-dioxohexoxy]ethoxy]-5-oxohexanoate
CID 163776671
(2,5-dioxopyrrolidin-1-yl) 3-ethyl-5-hydroxypentanoate
CID 89242702
tributyl-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphanium
CID 102579235
(2,5-dioxopyrrolidin-1-yl) 4-(4-hydroxybutyldisulfanyl)butanoate
CID 166945532
(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate
CID 131750156

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 8-hydroxy-5-(2-hydroxyethyl)octanoate;(2,5-dioxopyrrolidin-1-yl) 12-hydroxy-9-(2-hydroxyethyl)-5-oxododecanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 8-hydroxy-5-(2-hydroxyethyl)octanoate;(2,5-dioxopyrrolidin-1-yl) 12-hydroxy-9-(2-hydroxyethyl)-5-oxododecanoate (CID 167615874) is (2,5-dioxopyrrolidin-1-yl) 8-hydroxy-5-(2-hydroxyethyl)octanoate;(2,5-dioxopyrrolidin-1-yl) 12-hydroxy-9-(2-hydroxyethyl)-5-oxododecanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 8-hydroxy-5-(2-hydroxyethyl)octanoate;(2,5-dioxopyrrolidin-1-yl) 12-hydroxy-9-(2-hydroxyethyl)-5-oxododecanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 8-hydroxy-5-(2-hydroxyethyl)octanoate;(2,5-dioxopyrrolidin-1-yl) 12-hydroxy-9-(2-hydroxyethyl)-5-oxododecanoate is O=C(CCCC(=O)ON1C(=O)CCC1=O)CCCC(CCO)CCCO.O=C(CCCC(CCO)CCCO)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 8-hydroxy-5-(2-hydroxyethyl)octanoate;(2,5-dioxopyrrolidin-1-yl) 12-hydroxy-9-(2-hydroxyethyl)-5-oxododecanoate?
The InChIKey is LSQUTUVLBKZZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO7.C14H23NO6/c20-12-3-5-14(11-13-21)4-1-6-15(22)7-2-8-18(25)26-19-16(23)9-10-17(19)24;16-9-2-4-11(8-10-17)3-1-5-14(20)21-15-12(18)6-7-13(15)19/h14,20-21H,1-13H2;11,16-17H,1-10H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 8-hydroxy-5-(2-hydroxyethyl)octanoate;(2,5-dioxopyrrolidin-1-yl) 12-hydroxy-9-(2-hydroxyethyl)-5-oxododecanoate?
(2,5-dioxopyrrolidin-1-yl) 8-hydroxy-5-(2-hydroxyethyl)octanoate;(2,5-dioxopyrrolidin-1-yl) 12-hydroxy-9-(2-hydroxyethyl)-5-oxododecanoate has a molecular weight of 672.77 g/mol, XLogP of 1.81, 24 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 8-hydroxy-5-(2-hydroxyethyl)octanoate;(2,5-dioxopyrrolidin-1-yl) 12-hydroxy-9-(2-hydroxyethyl)-5-oxododecanoate is sourced from PubChem (CID 167615874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).