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

C8H9NO5 — CID 66653212

IUPAC2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]acetic acid
SMILESO=C(O)COCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H9NO5/c10-6-1-2-7(11)9(6)3-4-14-5-8(12)13/h1-2H,3-5H2,(H,12,13)
InChIKeyDSNJGLRDOPIVJA-UHFFFAOYSA-N
MW199.16 g/mol
LogP-0.99
Rot. Bonds5

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

2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]acetic acid (PubChem CID 66653212) has the molecular formula C8H9NO5 and a molecular weight of 199.16 g/mol. Its IUPAC name is 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]acetic acid
PubChem CID66653212
Molecular FormulaC8H9NO5
Molecular Weight199.16 g/mol
Exact Mass199.05
IUPAC Name2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]acetic acid
SMILESO=C(O)COCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H9NO5/c10-6-1-2-7(11)9(6)3-4-14-5-8(12)13/h1-2H,3-5H2,(H,12,13)
InChIKeyDSNJGLRDOPIVJA-UHFFFAOYSA-N
XLogP-0.99
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,5-dioxopyrrol-1-yl)ethoxy]acetic acid?
The IUPAC name of 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]acetic acid (CID 66653212) is 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]acetic acid is O=C(O)COCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]acetic acid?
The InChIKey is DSNJGLRDOPIVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO5/c10-6-1-2-7(11)9(6)3-4-14-5-8(12)13/h1-2H,3-5H2,(H,12,13).
What are the key properties of 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]acetic acid?
2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]acetic acid has a molecular weight of 199.16 g/mol, XLogP of -0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]acetic acid is sourced from PubChem (CID 66653212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).