prop-2-enyl 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propoxymethyl]amino]propanoate

C24H40N2O11 — CID 146393899

About prop-2-enyl 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propoxymethyl]amino]propanoate

prop-2-enyl 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propoxymethyl]amino]propanoate (PubChem CID 146393899) has the molecular formula C24H40N2O11 and a molecular weight of 532.59 g/mol. Its IUPAC name is prop-2-enyl 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propoxymethyl]amino]propanoate.

Molecular Properties

• Compound Name: prop-2-enyl 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propoxymethyl]amino]propanoate
• PubChem CID: 146393899
• Molecular Formula: C24H40N2O11
• Molecular Weight: 532.59 g/mol
• Exact Mass: 532.26
• IUPAC Name: prop-2-enyl 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propoxymethyl]amino]propanoate
• SMILES: C=CCOC(=O)CCN(CCC(=O)ON1C(=O)CCC1=O)COCCCOCCOCCOCCOC
• InChI: InChI=1S/C24H40N2O11/c1-3-11-36-23(29)7-9-25(10-8-24(30)37-26-21(27)5-6-22(26)28)20-35-13-4-12-32-16-17-34-19-18-33-15-14-31-2/h3H,1,4-20H2,2H3
• InChIKey: COLAYZYXKXIJFR-UHFFFAOYSA-N
• XLogP: 0.47
• TPSA: 139.37 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 24
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.59
LogP ≤ 5	0.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propoxymethyl]amino]propanoate?

The IUPAC name of prop-2-enyl 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propoxymethyl]amino]propanoate (CID 146393899) is prop-2-enyl 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propoxymethyl]amino]propanoate.

What is the SMILES notation for prop-2-enyl 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propoxymethyl]amino]propanoate?

The canonical SMILES for prop-2-enyl 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propoxymethyl]amino]propanoate is C=CCOC(=O)CCN(CCC(=O)ON1C(=O)CCC1=O)COCCCOCCOCCOCCOC.

What is the InChIKey of prop-2-enyl 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propoxymethyl]amino]propanoate?

The InChIKey is COLAYZYXKXIJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O11/c1-3-11-36-23(29)7-9-25(10-8-24(30)37-26-21(27)5-6-22(26)28)20-35-13-4-12-32-16-17-34-19-18-33-15-14-31-2/h3H,1,4-20H2,2H3.

What are the key properties of prop-2-enyl 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propoxymethyl]amino]propanoate?

prop-2-enyl 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propoxymethyl]amino]propanoate has a molecular weight of 532.59 g/mol, XLogP of 0.47, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for prop-2-enyl 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propoxymethyl]amino]propanoate is sourced from PubChem (CID 146393899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).