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

C11H16N2O6 — CID 90189736

IUPAC2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethylcarbamic acid
SMILESO=C(O)NCCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O6/c14-9-1-2-10(15)13(9)4-6-19-8-7-18-5-3-12-11(16)17/h1-2,12H,3-8H2,(H,16,17)
InChIKeyISOBEOGQUACVMM-UHFFFAOYSA-N
MW272.26 g/mol
LogP-0.79
Rot. Bonds9

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

2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethylcarbamic acid (PubChem CID 90189736) has the molecular formula C11H16N2O6 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethylcarbamic acid.

Molecular Properties

Compound Name2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethylcarbamic acid
PubChem CID90189736
Molecular FormulaC11H16N2O6
Molecular Weight272.26 g/mol
Exact Mass272.10
IUPAC Name2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethylcarbamic acid
SMILESO=C(O)NCCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O6/c14-9-1-2-10(15)13(9)4-6-19-8-7-18-5-3-12-11(16)17/h1-2,12H,3-8H2,(H,16,17)
InChIKeyISOBEOGQUACVMM-UHFFFAOYSA-N
XLogP-0.79
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethylcarbamic acid?
The IUPAC name of 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethylcarbamic acid (CID 90189736) is 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethylcarbamic acid.
What is the SMILES notation for 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethylcarbamic acid?
The canonical SMILES for 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethylcarbamic acid is O=C(O)NCCOCCOCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethylcarbamic acid?
The InChIKey is ISOBEOGQUACVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O6/c14-9-1-2-10(15)13(9)4-6-19-8-7-18-5-3-12-11(16)17/h1-2,12H,3-8H2,(H,16,17).
What are the key properties of 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethylcarbamic acid?
2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethylcarbamic acid has a molecular weight of 272.26 g/mol, XLogP of -0.79, 9 rotatable bonds, 2 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]ethylcarbamic acid is sourced from PubChem (CID 90189736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).