2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetic acid

C10H13NO6 — CID 10466938

IUPAC2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetic acid
SMILESO=C(O)COCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO6/c12-8-1-2-9(13)11(8)3-4-16-5-6-17-7-10(14)15/h1-2H,3-7H2,(H,14,15)
InChIKeyAZIIPBGZTZIKMC-UHFFFAOYSA-N
MW243.21 g/mol
LogP-0.97
Rot. Bonds8

About 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetic acid

2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetic acid (PubChem CID 10466938) has the molecular formula C10H13NO6 and a molecular weight of 243.21 g/mol. Its IUPAC name is 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetic acid
PubChem CID10466938
Molecular FormulaC10H13NO6
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC Name2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetic acid
SMILESO=C(O)COCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO6/c12-8-1-2-9(13)11(8)3-4-16-5-6-17-7-10(14)15/h1-2H,3-7H2,(H,14,15)
InChIKeyAZIIPBGZTZIKMC-UHFFFAOYSA-N
XLogP-0.97
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-[2-(2-hydroxyethoxy)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 19880610
Mal-PEG2-acid
CID 68028837
(Maleimido)triethylene glycol
CID 66608154
Fluoro 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetate
CID 143929192
3-Hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-pyrrolin-2-one
CID 129766752
2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl acetate
CID 11446725
1-(14-Hydroxy-3,6,9,12-tetraoxatetradecyl)-1H-pyrrole-2,5-dione
CID 15638976
2-Methoxyethyl 2-(2,5-dioxopyrrol-1-yl)acetate
CID 17857404
Mal-PEG3-alcohol
CID 19880613
2-[2-[2-(2,5-Dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl 2-ethoxyacetate
CID 19880621
2-[Ethyl(prop-2-enoyl)amino]-2-methoxyacetic acid
CID 21287807
2-[2-[2-[4-(2,5-Dioxopyrrol-1-yl)butylamino]-2-oxoethoxy]ethoxy]acetic acid
CID 59709134

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetic acid (CID 10466938) is 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetic acid is O=C(O)COCCOCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetic acid?
The InChIKey is AZIIPBGZTZIKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO6/c12-8-1-2-9(13)11(8)3-4-16-5-6-17-7-10(14)15/h1-2H,3-7H2,(H,14,15).
What are the key properties of 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetic acid?
2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetic acid has a molecular weight of 243.21 g/mol, XLogP of -0.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 10466938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).