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

C14H20N2O7 — CID 24768092

IUPAC3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoic acid
SMILESO=C(O)CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H20N2O7/c17-11(3-6-16-12(18)1-2-13(16)19)15-5-8-23-10-9-22-7-4-14(20)21/h1-2H,3-10H2,(H,15,17)(H,20,21)
InChIKeyGBPJQBDDYXDSNH-UHFFFAOYSA-N
MW328.32 g/mol
LogP-1.07
Rot. Bonds12

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

3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoic acid (PubChem CID 24768092) has the molecular formula C14H20N2O7 and a molecular weight of 328.32 g/mol. Its IUPAC name is 3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoic acid
PubChem CID24768092
Molecular FormulaC14H20N2O7
Molecular Weight328.32 g/mol
Exact Mass328.13
IUPAC Name3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoic acid
SMILESO=C(O)CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H20N2O7/c17-11(3-6-16-12(18)1-2-13(16)19)15-5-8-23-10-9-22-7-4-14(20)21/h1-2H,3-10H2,(H,15,17)(H,20,21)
InChIKeyGBPJQBDDYXDSNH-UHFFFAOYSA-N
XLogP-1.07
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 5-1.07
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoic acid?
The IUPAC name of 3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoic acid (CID 24768092) is 3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoic acid?
The canonical SMILES for 3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoic acid is O=C(O)CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoic acid?
The InChIKey is GBPJQBDDYXDSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O7/c17-11(3-6-16-12(18)1-2-13(16)19)15-5-8-23-10-9-22-7-4-14(20)21/h1-2H,3-10H2,(H,15,17)(H,20,21).
What are the key properties of 3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoic acid?
3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoic acid has a molecular weight of 328.32 g/mol, XLogP of -1.07, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 24768092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).