(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

C38H62N4O17 — CID 162194756

IUPAC(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
SMILESO=C(CCCCNC(=O)OCC(CCO)CCCO)CCCC(=O)ON1C(=O)CCC1=O.O=C(CCCCNC(=O)OCC(CCO)CCCO)ON1C(=O)CCC1=O
InChIInChI=1S/C21H34N2O9.C17H28N2O8/c24-13-4-5-16(11-14-25)15-31-21(30)22-12-2-1-6-17(26)7-3-8-20(29)32-23-18(27)9-10-19(23)28;20-10-3-4-13(8-11-21)12-26-17(25)18-9-2-1-5-16(24)27-19-14(22)6-7-15(19)23/h16,24-25H,1-15H2,(H,22,30);13,20-21H,1-12H2,(H,18,25)
InChIKeyZQUHKIAPQKJMSJ-UHFFFAOYSA-N
MW846.92 g/mol
LogP1.26
Rot. Bonds30

About (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

(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 (PubChem CID 162194756) has the molecular formula C38H62N4O17 and a molecular weight of 846.92 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID162194756
Molecular FormulaC38H62N4O17
Molecular Weight846.92 g/mol
Exact Mass846.41
IUPAC Name(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
SMILESO=C(CCCCNC(=O)OCC(CCO)CCCO)CCCC(=O)ON1C(=O)CCC1=O.O=C(CCCCNC(=O)OCC(CCO)CCCO)ON1C(=O)CCC1=O
InChIInChI=1S/C21H34N2O9.C17H28N2O8/c24-13-4-5-16(11-14-25)15-31-21(30)22-12-2-1-6-17(26)7-3-8-20(29)32-23-18(27)9-10-19(23)28;20-10-3-4-13(8-11-21)12-26-17(25)18-9-2-1-5-16(24)27-19-14(22)6-7-15(19)23/h16,24-25H,1-15H2,(H,22,30);13,20-21H,1-12H2,(H,18,25)
InChIKeyZQUHKIAPQKJMSJ-UHFFFAOYSA-N
XLogP1.26
TPSA302.01 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds30
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500846.92
LogP ≤ 51.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

(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
(2,5-dioxopyrrolidin-1-yl) 17-[[20-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-11,20-dioxoicosanoyl]amino]-10-oxoheptadecanoate
CID 157110629
(2,5-dioxopyrrolidin-1-yl) 5-(2-methoxyethoxycarbonylamino)pentanoate
CID 59112809
(2,5-dioxopyrrolidin-1-yl) 8-[3-[3-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]-2-[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]octanoate
CID 118440608
(2,5-dioxopyrrolidin-1-yl) 6-bromo-5-oxohexanoate
CID 149046633
(2,5-dioxopyrrolidin-1-yl) 6-[[4-acetamido-5-(2-hydroxyethylamino)-5-oxopentanoyl]amino]hexanoate
CID 89119031
10-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) decanedioate
CID 174881111
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) 3-[2-[2-[2-[2-(2-methylpropoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 162349007
(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate
CID 87104242
(2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate
CID 129055925
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is O=C(CCCCNC(=O)OCC(CCO)CCCO)CCCC(=O)ON1C(=O)CCC1=O.O=C(CCCCNC(=O)OCC(CCO)CCCO)ON1C(=O)CCC1=O.
What is the InChIKey of (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?
The InChIKey is ZQUHKIAPQKJMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O9.C17H28N2O8/c24-13-4-5-16(11-14-25)15-31-21(30)22-12-2-1-6-17(26)7-3-8-20(29)32-23-18(27)9-10-19(23)28;20-10-3-4-13(8-11-21)12-26-17(25)18-9-2-1-5-16(24)27-19-14(22)6-7-15(19)23/h16,24-25H,1-15H2,(H,22,30);13,20-21H,1-12H2,(H,18,25).
What are the key properties of (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?
(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 has a molecular weight of 846.92 g/mol, XLogP of 1.26, 30 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 162194756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).