(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-(methylamino)propanoylamino]ethoxy]ethoxy]ethoxy]propanoate

C17H29N3O8 — CID 134424013

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-(methylamino)propanoylamino]ethoxy]ethoxy]ethoxy]propanoate
SMILESCNCCC(=O)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C17H29N3O8/c1-18-6-4-14(21)19-7-9-26-11-13-27-12-10-25-8-5-17(24)28-20-15(22)2-3-16(20)23/h18H,2-13H2,1H3,(H,19,21)
InChIKeyCDHNGQMXPMOPHG-UHFFFAOYSA-N
MW403.43 g/mol
LogP-1.24
Rot. Bonds16

About (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-(methylamino)propanoylamino]ethoxy]ethoxy]ethoxy]propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-(methylamino)propanoylamino]ethoxy]ethoxy]ethoxy]propanoate (PubChem CID 134424013) has the molecular formula C17H29N3O8 and a molecular weight of 403.43 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-(methylamino)propanoylamino]ethoxy]ethoxy]ethoxy]propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-(methylamino)propanoylamino]ethoxy]ethoxy]ethoxy]propanoate
PubChem CID134424013
Molecular FormulaC17H29N3O8
Molecular Weight403.43 g/mol
Exact Mass403.20
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-(methylamino)propanoylamino]ethoxy]ethoxy]ethoxy]propanoate
SMILESCNCCC(=O)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C17H29N3O8/c1-18-6-4-14(21)19-7-9-26-11-13-27-12-10-25-8-5-17(24)28-20-15(22)2-3-16(20)23/h18H,2-13H2,1H3,(H,19,21)
InChIKeyCDHNGQMXPMOPHG-UHFFFAOYSA-N
XLogP-1.24
TPSA132.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(methylamino)ethoxy]ethoxy]propanoate
CID 90143112
(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-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078534
(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-[2-[2-[3-(2-methoxyethoxy)propanoylamino]ethoxy]ethoxy]propanoate;3-[2-[2-[3-(2-methoxyethoxy)propanoylamino]ethoxy]ethoxy]propanoic acid
CID 158923450
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 156597084
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(8-formamidooctanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 135199706
(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]propanoate
CID 13055590
(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-[4-oxo-6-[3-[3-oxo-3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]hexoxy]ethoxy]ethoxy]propanoate
CID 157459945
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-[3-[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]prop-2-enoxy]propanoylamino]ethoxy]ethoxy]ethoxy]propanoate
CID 118440419
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;methane
CID 161065526

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-(methylamino)propanoylamino]ethoxy]ethoxy]ethoxy]propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-(methylamino)propanoylamino]ethoxy]ethoxy]ethoxy]propanoate (CID 134424013) is (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-(methylamino)propanoylamino]ethoxy]ethoxy]ethoxy]propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-(methylamino)propanoylamino]ethoxy]ethoxy]ethoxy]propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-(methylamino)propanoylamino]ethoxy]ethoxy]ethoxy]propanoate is CNCCC(=O)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-(methylamino)propanoylamino]ethoxy]ethoxy]ethoxy]propanoate?
The InChIKey is CDHNGQMXPMOPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O8/c1-18-6-4-14(21)19-7-9-26-11-13-27-12-10-25-8-5-17(24)28-20-15(22)2-3-16(20)23/h18H,2-13H2,1H3,(H,19,21).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-(methylamino)propanoylamino]ethoxy]ethoxy]ethoxy]propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-(methylamino)propanoylamino]ethoxy]ethoxy]ethoxy]propanoate has a molecular weight of 403.43 g/mol, XLogP of -1.24, 16 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-(methylamino)propanoylamino]ethoxy]ethoxy]ethoxy]propanoate is sourced from PubChem (CID 134424013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).