2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetic acid

C13H18N2O7 — CID 91667273

IUPAC2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetic acid
SMILESO=C(O)COCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C13H18N2O7/c16-10(3-5-15-11(17)1-2-12(15)18)14-4-6-21-7-8-22-9-13(19)20/h1-2H,3-9H2,(H,14,16)(H,19,20)
InChIKeyWVZNYUWSKCVCLO-UHFFFAOYSA-N
MW314.29 g/mol
LogP-1.46
Rot. Bonds11

About 2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetic acid

2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetic acid (PubChem CID 91667273) has the molecular formula C13H18N2O7 and a molecular weight of 314.29 g/mol. Its IUPAC name is 2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetic acid
PubChem CID91667273
Molecular FormulaC13H18N2O7
Molecular Weight314.29 g/mol
Exact Mass314.11
IUPAC Name2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetic acid
SMILESO=C(O)COCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C13H18N2O7/c16-10(3-5-15-11(17)1-2-12(15)18)14-4-6-21-7-8-22-9-13(19)20/h1-2H,3-9H2,(H,14,16)(H,19,20)
InChIKeyWVZNYUWSKCVCLO-UHFFFAOYSA-N
XLogP-1.46
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetic acid (CID 91667273) is 2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetic acid is O=C(O)COCCOCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetic acid?
The InChIKey is WVZNYUWSKCVCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O7/c16-10(3-5-15-11(17)1-2-12(15)18)14-4-6-21-7-8-22-9-13(19)20/h1-2H,3-9H2,(H,14,16)(H,19,20).
What are the key properties of 2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetic acid?
2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetic acid has a molecular weight of 314.29 g/mol, XLogP of -1.46, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 91667273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).