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

C19H32N2O9 — CID 129271799

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
SMILESCCCC(=O)NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C19H32N2O9/c1-2-3-16(22)20-7-9-27-11-13-29-15-14-28-12-10-26-8-6-19(25)30-21-17(23)4-5-18(21)24/h2-15H2,1H3,(H,20,22)
InChIKeyBHFWIXJWQDCOBY-UHFFFAOYSA-N
MW432.47 g/mol
LogP-0.03
Rot. Bonds18

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

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate (PubChem CID 129271799) has the molecular formula C19H32N2O9 and a molecular weight of 432.47 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
PubChem CID129271799
Molecular FormulaC19H32N2O9
Molecular Weight432.47 g/mol
Exact Mass432.21
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
SMILESCCCC(=O)NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C19H32N2O9/c1-2-3-16(22)20-7-9-27-11-13-29-15-14-28-12-10-26-8-6-19(25)30-21-17(23)4-5-18(21)24/h2-15H2,1H3,(H,20,22)
InChIKeyBHFWIXJWQDCOBY-UHFFFAOYSA-N
XLogP-0.03
TPSA129.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
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-[2-[3-(methylamino)propanoylamino]ethoxy]ethoxy]ethoxy]propanoate
CID 134424013
(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-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078534
(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-(methylamino)ethoxy]ethoxy]propanoate
CID 90143112
(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) 3-[2-[2-[2-[8-[3-[2,2-bis[[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]butoxy]propanoylamino]octanoylamino]ethoxy]ethoxy]ethoxy]propanoate
CID 118440540
(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-ethoxyethoxy)ethoxy]ethoxy]propanoate
CID 135157347

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate (CID 129271799) is (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate is CCCC(=O)NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
The InChIKey is BHFWIXJWQDCOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O9/c1-2-3-16(22)20-7-9-27-11-13-29-15-14-28-12-10-26-8-6-19(25)30-21-17(23)4-5-18(21)24/h2-15H2,1H3,(H,20,22).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate has a molecular weight of 432.47 g/mol, XLogP of -0.03, 18 rotatable bonds, 1 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-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate is sourced from PubChem (CID 129271799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).