2-(2,5-dioxopyrrolidin-1-yl)-3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanoic acid

C17H22N2O9 — CID 146298855

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanoic acid
SMILESO=C(O)C(COCCOCCOCCN1C(=O)C=CC1=O)N1C(=O)CCC1=O
InChIInChI=1S/C17H22N2O9/c20-13-1-2-14(21)18(13)5-6-26-7-8-27-9-10-28-11-12(17(24)25)19-15(22)3-4-16(19)23/h1-2,12H,3-11H2,(H,24,25)
InChIKeyGADUBNOUGGRRAF-UHFFFAOYSA-N
MW398.37 g/mol
LogP-1.44
Rot. Bonds13

About 2-(2,5-dioxopyrrolidin-1-yl)-3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanoic acid

2-(2,5-dioxopyrrolidin-1-yl)-3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanoic acid (PubChem CID 146298855) has the molecular formula C17H22N2O9 and a molecular weight of 398.37 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanoic acid.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanoic acid
PubChem CID146298855
Molecular FormulaC17H22N2O9
Molecular Weight398.37 g/mol
Exact Mass398.13
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanoic acid
SMILESO=C(O)C(COCCOCCOCCN1C(=O)C=CC1=O)N1C(=O)CCC1=O
InChIInChI=1S/C17H22N2O9/c20-13-1-2-14(21)18(13)5-6-26-7-8-27-9-10-28-11-12(17(24)25)19-15(22)3-4-16(19)23/h1-2,12H,3-11H2,(H,24,25)
InChIKeyGADUBNOUGGRRAF-UHFFFAOYSA-N
XLogP-1.44
TPSA139.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 5-1.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanoate
CID 77078335
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 170899516
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078334
1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione;methane
CID 160561289
1-[2-[3-[3-[3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]ethyl]pyrrole-2,5-dione
CID 58241538
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 137334014
1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 137334013
methane;1-[2-(2-methoxyethoxy)ethyl]pyrrole-2,5-dione
CID 158080299
1-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 177233739
1-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 139443419
1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 132917103
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid
CID 155906513

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanoic acid?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanoic acid (CID 146298855) is 2-(2,5-dioxopyrrolidin-1-yl)-3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanoic acid.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanoic acid?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanoic acid is O=C(O)C(COCCOCCOCCN1C(=O)C=CC1=O)N1C(=O)CCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanoic acid?
The InChIKey is GADUBNOUGGRRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O9/c20-13-1-2-14(21)18(13)5-6-26-7-8-27-9-10-28-11-12(17(24)25)19-15(22)3-4-16(19)23/h1-2,12H,3-11H2,(H,24,25).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanoic acid?
2-(2,5-dioxopyrrolidin-1-yl)-3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanoic acid has a molecular weight of 398.37 g/mol, XLogP of -1.44, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 146298855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).