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

C10H11NO4 — CID 79846133

IUPAC2-[1-(2,5-dioxopyrrol-1-yl)cyclobutyl]acetic acid
SMILESO=C(O)CC1(N2C(=O)C=CC2=O)CCC1
InChIInChI=1S/C10H11NO4/c12-7-2-3-8(13)11(7)10(4-1-5-10)6-9(14)15/h2-3H,1,4-6H2,(H,14,15)
InChIKeyRRIZZEJKJTWYGF-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.31
Rot. Bonds3

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

2-[1-(2,5-dioxopyrrol-1-yl)cyclobutyl]acetic acid (PubChem CID 79846133) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-[1-(2,5-dioxopyrrol-1-yl)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,5-dioxopyrrol-1-yl)cyclobutyl]acetic acid
PubChem CID79846133
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name2-[1-(2,5-dioxopyrrol-1-yl)cyclobutyl]acetic acid
SMILESO=C(O)CC1(N2C(=O)C=CC2=O)CCC1
InChIInChI=1S/C10H11NO4/c12-7-2-3-8(13)11(7)10(4-1-5-10)6-9(14)15/h2-3H,1,4-6H2,(H,14,15)
InChIKeyRRIZZEJKJTWYGF-UHFFFAOYSA-N
XLogP0.31
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dioxopyrrol-1-yl)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(2,5-dioxopyrrol-1-yl)cyclobutyl]acetic acid (CID 79846133) is 2-[1-(2,5-dioxopyrrol-1-yl)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(2,5-dioxopyrrol-1-yl)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(2,5-dioxopyrrol-1-yl)cyclobutyl]acetic acid is O=C(O)CC1(N2C(=O)C=CC2=O)CCC1.
What is the InChIKey of 2-[1-(2,5-dioxopyrrol-1-yl)cyclobutyl]acetic acid?
The InChIKey is RRIZZEJKJTWYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c12-7-2-3-8(13)11(7)10(4-1-5-10)6-9(14)15/h2-3H,1,4-6H2,(H,14,15).
What are the key properties of 2-[1-(2,5-dioxopyrrol-1-yl)cyclobutyl]acetic acid?
2-[1-(2,5-dioxopyrrol-1-yl)cyclobutyl]acetic acid has a molecular weight of 209.20 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dioxopyrrol-1-yl)cyclobutyl]acetic acid is sourced from PubChem (CID 79846133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).