(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetate

C12H18N4O7 — CID 121235813

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetate
SMILES[N-]=[N+]=NCCOCCOCCOCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C12H18N4O7/c13-15-14-3-4-20-5-6-21-7-8-22-9-12(19)23-16-10(17)1-2-11(16)18/h1-9H2
InChIKeyXNHIEMNCUYXCFI-UHFFFAOYSA-N
MW330.30 g/mol
LogP-0.05
Rot. Bonds12

About (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetate

(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetate (PubChem CID 121235813) has the molecular formula C12H18N4O7 and a molecular weight of 330.30 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetate
PubChem CID121235813
Molecular FormulaC12H18N4O7
Molecular Weight330.30 g/mol
Exact Mass330.12
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetate
SMILES[N-]=[N+]=NCCOCCOCCOCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C12H18N4O7/c13-15-14-3-4-20-5-6-21-7-8-22-9-12(19)23-16-10(17)1-2-11(16)18/h1-9H2
InChIKeyXNHIEMNCUYXCFI-UHFFFAOYSA-N
XLogP-0.05
TPSA140.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 57369360
(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoate
CID 58473285
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 71356458
(2,5-dioxopyrrolidin-1-yl) 3-[[6-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-4-oxohexyl]disulfanyl]propanoate
CID 159264268
methyl 2-[2-(2-azidoethoxy)ethoxy]acetate
CID 16723228
bis[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethyl] propanedioate
CID 153431412
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-[[1,3-bis[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 172948582
(2,5-dioxopyrrolidin-1-yl) 10-azidodecanoate
CID 155887418
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetate
CID 131709290
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2-bromoacetyl)oxyethoxy]acetate
CID 162642529
(2,5-dioxopyrrolidin-1-yl) 4-[2-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoyl-[2-[2-(2-azidoethoxy)ethoxy]ethyl]amino]ethylamino]-4-oxobutanoate
CID 176817145
(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]propanoate
CID 13055590

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetate (CID 121235813) is (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetate is [N-]=[N+]=NCCOCCOCCOCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetate?
The InChIKey is XNHIEMNCUYXCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O7/c13-15-14-3-4-20-5-6-21-7-8-22-9-12(19)23-16-10(17)1-2-11(16)18/h1-9H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetate?
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetate has a molecular weight of 330.30 g/mol, XLogP of -0.05, 12 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) 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetate is sourced from PubChem (CID 121235813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).