(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoate

C14H21N5O7 — CID 58473285

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoate
SMILES[N-]=[N+]=NCCOCCOCCNC(=O)CCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H21N5O7/c15-18-17-6-8-25-10-9-24-7-5-16-11(20)1-4-14(23)26-19-12(21)2-3-13(19)22/h1-10H2,(H,16,20)
InChIKeyXRVOHRXMKYYZBO-UHFFFAOYSA-N
MW371.35 g/mol
LogP-0.17
Rot. Bonds13

About (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoate

(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoate (PubChem CID 58473285) has the molecular formula C14H21N5O7 and a molecular weight of 371.35 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoate
PubChem CID58473285
Molecular FormulaC14H21N5O7
Molecular Weight371.35 g/mol
Exact Mass371.14
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoate
SMILES[N-]=[N+]=NCCOCCOCCNC(=O)CCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H21N5O7/c15-18-17-6-8-25-10-9-24-7-5-16-11(20)1-4-14(23)26-19-12(21)2-3-13(19)22/h1-10H2,(H,16,20)
InChIKeyXRVOHRXMKYYZBO-UHFFFAOYSA-N
XLogP-0.17
TPSA160.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
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) 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) 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) 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetate
CID 121235813
(2,5-dioxopyrrolidin-1-yl) 3-[3-[2-[2-[2-[2-[(2-azidoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]propanoate
CID 59169176
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078534
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-(methylamino)propanoylamino]ethoxy]ethoxy]ethoxy]propanoate
CID 134424013
(2,5-dioxopyrrolidin-1-yl) 6-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexanoate
CID 87561673
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 129271799
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 90179191
(2,5-dioxopyrrolidin-1-yl) 3-[[6-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-4-oxohexyl]disulfanyl]propanoate
CID 159264268
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[3-(2-methoxyethoxy)propanoylamino]ethoxy]ethoxy]propanoate;3-[2-[2-[3-(2-methoxyethoxy)propanoylamino]ethoxy]ethoxy]propanoic acid
CID 158923450
N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-bromoacetamide
CID 77078486

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoate (CID 58473285) is (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoate is [N-]=[N+]=NCCOCCOCCNC(=O)CCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoate?
The InChIKey is XRVOHRXMKYYZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O7/c15-18-17-6-8-25-10-9-24-7-5-16-11(20)1-4-14(23)26-19-12(21)2-3-13(19)22/h1-10H2,(H,16,20).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoate?
(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoate has a molecular weight of 371.35 g/mol, XLogP of -0.17, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoate is sourced from PubChem (CID 58473285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).