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

C12H17NO7 — CID 91667267

IUPAC2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]acetic acid
SMILESO=C(O)COCCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C12H17NO7/c14-10-1-2-11(15)13(10)3-4-18-5-6-19-7-8-20-9-12(16)17/h1-2H,3-9H2,(H,16,17)
InChIKeyRBDYDQKDARVFDG-UHFFFAOYSA-N
MW287.27 g/mol
LogP-0.95
Rot. Bonds11

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

2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]acetic acid (PubChem CID 91667267) has the molecular formula C12H17NO7 and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]acetic acid
PubChem CID91667267
Molecular FormulaC12H17NO7
Molecular Weight287.27 g/mol
Exact Mass287.10
IUPAC Name2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]acetic acid
SMILESO=C(O)COCCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C12H17NO7/c14-10-1-2-11(15)13(10)3-4-18-5-6-19-7-8-20-9-12(16)17/h1-2H,3-9H2,(H,16,17)
InChIKeyRBDYDQKDARVFDG-UHFFFAOYSA-N
XLogP-0.95
TPSA102.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]acetic acid (CID 91667267) is 2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]acetic acid is O=C(O)COCCOCCOCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]acetic acid?
The InChIKey is RBDYDQKDARVFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO7/c14-10-1-2-11(15)13(10)3-4-18-5-6-19-7-8-20-9-12(16)17/h1-2H,3-9H2,(H,16,17).
What are the key properties of 2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]acetic acid?
2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]acetic acid has a molecular weight of 287.27 g/mol, XLogP of -0.95, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 91667267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).