(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate

C13H20N2O5 — CID 142436920

IUPAC(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
SMILESNC(=O)CCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C13H20N2O5/c14-10(16)6-4-2-1-3-5-7-13(19)20-15-11(17)8-9-12(15)18/h1-9H2,(H2,14,16)
InChIKeyRIAIYGVCOWHMIF-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.81
Rot. Bonds9

About (2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate

(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate (PubChem CID 142436920) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
PubChem CID142436920
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
SMILESNC(=O)CCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C13H20N2O5/c14-10(16)6-4-2-1-3-5-7-13(19)20-15-11(17)8-9-12(15)18/h1-9H2,(H2,14,16)
InChIKeyRIAIYGVCOWHMIF-UHFFFAOYSA-N
XLogP0.81
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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) 11-bromoundecanoate
CID 131750156
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208
10-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) decanedioate
CID 174881111
(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
CID 86194285
(2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate
CID 90394451
(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane
CID 156842096
16-(2,5-dioxopyrrolidin-1-yl)oxy-16-oxohexadecane-1-sulfonic acid
CID 71468135
1-O-tert-butyl 14-O-(2,5-dioxopyrrolidin-1-yl) tetradecanedioate
CID 87253097

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate (CID 142436920) is (2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate is NC(=O)CCCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate?
The InChIKey is RIAIYGVCOWHMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c14-10(16)6-4-2-1-3-5-7-13(19)20-15-11(17)8-9-12(15)18/h1-9H2,(H2,14,16).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate?
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate has a molecular weight of 284.31 g/mol, XLogP of 0.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate is sourced from PubChem (CID 142436920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).