(2,5-dioxopyrrolidin-1-yl) 10-azidodecanoate

C14H22N4O4 — CID 155887418

IUPAC(2,5-dioxopyrrolidin-1-yl) 10-azidodecanoate
SMILES[N-]=[N+]=NCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H22N4O4/c15-17-16-11-7-5-3-1-2-4-6-8-14(21)22-18-12(19)9-10-13(18)20/h1-11H2
InChIKeyJACYPJQKNFOKPE-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.02
Rot. Bonds11

About (2,5-dioxopyrrolidin-1-yl) 10-azidodecanoate

(2,5-dioxopyrrolidin-1-yl) 10-azidodecanoate (PubChem CID 155887418) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 10-azidodecanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 10-azidodecanoate
PubChem CID155887418
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 10-azidodecanoate
SMILES[N-]=[N+]=NCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H22N4O4/c15-17-16-11-7-5-3-1-2-4-6-8-14(21)22-18-12(19)9-10-13(18)20/h1-11H2
InChIKeyJACYPJQKNFOKPE-UHFFFAOYSA-N
XLogP3.02
TPSA112.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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) 9-amino-9-oxononanoate
CID 142436920
(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate
CID 131750156
(2,5-dioxopyrrolidin-1-yl) 3-[(4-azido-2-oxobutyl)amino]propanoate
CID 154963897
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208
(2,5-dioxopyrrolidin-1-yl) 5-[[4-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentyl]imino-1,1-dioxo-1,2,5-thiadiazolidin-3-ylidene]amino]pentanoate
CID 137250397
(2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate
CID 129055925
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetate
CID 121235813
(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
CID 86194285
(2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate
CID 90394451

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 10-azidodecanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 10-azidodecanoate (CID 155887418) is (2,5-dioxopyrrolidin-1-yl) 10-azidodecanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 10-azidodecanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 10-azidodecanoate is [N-]=[N+]=NCCCCCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 10-azidodecanoate?
The InChIKey is JACYPJQKNFOKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4/c15-17-16-11-7-5-3-1-2-4-6-8-14(21)22-18-12(19)9-10-13(18)20/h1-11H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 10-azidodecanoate?
(2,5-dioxopyrrolidin-1-yl) 10-azidodecanoate has a molecular weight of 310.35 g/mol, XLogP of 3.02, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 10-azidodecanoate is sourced from PubChem (CID 155887418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).