(2,5-dioxopyrrolidin-1-yl) 5-[[2-(2H-azet-1-yl)-2-oxoacetyl]oxy-methylamino]-5-oxopentanoate

C15H17N3O8 — CID 163588977

IUPAC(2,5-dioxopyrrolidin-1-yl) 5-[[2-(2H-azet-1-yl)-2-oxoacetyl]oxy-methylamino]-5-oxopentanoate
SMILESCN(OC(=O)C(=O)N1C=CC1)C(=O)CCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H17N3O8/c1-16(26-15(24)14(23)17-8-3-9-17)10(19)4-2-5-13(22)25-18-11(20)6-7-12(18)21/h3,8H,2,4-7,9H2,1H3
InChIKeyGNXJBLPROUYDJB-UHFFFAOYSA-N
MW367.31 g/mol
LogP-0.96
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 5-[[2-(2H-azet-1-yl)-2-oxoacetyl]oxy-methylamino]-5-oxopentanoate

(2,5-dioxopyrrolidin-1-yl) 5-[[2-(2H-azet-1-yl)-2-oxoacetyl]oxy-methylamino]-5-oxopentanoate (PubChem CID 163588977) has the molecular formula C15H17N3O8 and a molecular weight of 367.31 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 5-[[2-(2H-azet-1-yl)-2-oxoacetyl]oxy-methylamino]-5-oxopentanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 5-[[2-(2H-azet-1-yl)-2-oxoacetyl]oxy-methylamino]-5-oxopentanoate
PubChem CID163588977
Molecular FormulaC15H17N3O8
Molecular Weight367.31 g/mol
Exact Mass367.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 5-[[2-(2H-azet-1-yl)-2-oxoacetyl]oxy-methylamino]-5-oxopentanoate
SMILESCN(OC(=O)C(=O)N1C=CC1)C(=O)CCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H17N3O8/c1-16(26-15(24)14(23)17-8-3-9-17)10(19)4-2-5-13(22)25-18-11(20)6-7-12(18)21/h3,8H,2,4-7,9H2,1H3
InChIKeyGNXJBLPROUYDJB-UHFFFAOYSA-N
XLogP-0.96
TPSA130.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.31
LogP ≤ 5-0.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-O-(2,5-dioxopyrrolidin-1-yl) 11-O-[methyl(4-oxobutanoyl)amino] undecanedioate
CID 126540985
(2,5-dioxopyrrolidin-1-yl) 4-(dimethylamino)butanoate;ethane
CID 178100536
[2-[[5-(2,5-dioxopyrrol-1-yl)oxy-5-oxopentanoyl]-methylamino]oxy-2-oxoacetyl]-methylidyneazanium
CID 163819040
(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate
CID 87104242
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid
CID 155487576
(2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate
CID 129055925
(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
CID 86194285
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208
(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane
CID 156842096
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate
CID 88545010

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-[[2-(2H-azet-1-yl)-2-oxoacetyl]oxy-methylamino]-5-oxopentanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-[[2-(2H-azet-1-yl)-2-oxoacetyl]oxy-methylamino]-5-oxopentanoate (CID 163588977) is (2,5-dioxopyrrolidin-1-yl) 5-[[2-(2H-azet-1-yl)-2-oxoacetyl]oxy-methylamino]-5-oxopentanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 5-[[2-(2H-azet-1-yl)-2-oxoacetyl]oxy-methylamino]-5-oxopentanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 5-[[2-(2H-azet-1-yl)-2-oxoacetyl]oxy-methylamino]-5-oxopentanoate is CN(OC(=O)C(=O)N1C=CC1)C(=O)CCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 5-[[2-(2H-azet-1-yl)-2-oxoacetyl]oxy-methylamino]-5-oxopentanoate?
The InChIKey is GNXJBLPROUYDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O8/c1-16(26-15(24)14(23)17-8-3-9-17)10(19)4-2-5-13(22)25-18-11(20)6-7-12(18)21/h3,8H,2,4-7,9H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 5-[[2-(2H-azet-1-yl)-2-oxoacetyl]oxy-methylamino]-5-oxopentanoate?
(2,5-dioxopyrrolidin-1-yl) 5-[[2-(2H-azet-1-yl)-2-oxoacetyl]oxy-methylamino]-5-oxopentanoate has a molecular weight of 367.31 g/mol, XLogP of -0.96, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 5-[[2-(2H-azet-1-yl)-2-oxoacetyl]oxy-methylamino]-5-oxopentanoate is sourced from PubChem (CID 163588977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).