(2,5-dioxopyrrolidin-1-yl) 3-[2-[1-(2-methylprop-2-enoylamino)propan-2-yloxy]ethoxy]propanoate

C16H24N2O7 — CID 170195190

About (2,5-dioxopyrrolidin-1-yl) 3-[2-[1-(2-methylprop-2-enoylamino)propan-2-yloxy]ethoxy]propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[2-[1-(2-methylprop-2-enoylamino)propan-2-yloxy]ethoxy]propanoate (PubChem CID 170195190) has the molecular formula C16H24N2O7 and a molecular weight of 356.38 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[2-[1-(2-methylprop-2-enoylamino)propan-2-yloxy]ethoxy]propanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[1-(2-methylprop-2-enoylamino)propan-2-yloxy]ethoxy]propanoate
• PubChem CID: 170195190
• Molecular Formula: C16H24N2O7
• Molecular Weight: 356.38 g/mol
• Exact Mass: 356.16
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[1-(2-methylprop-2-enoylamino)propan-2-yloxy]ethoxy]propanoate
• SMILES: C=C(C)C(=O)NCC(C)OCCOCCC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C16H24N2O7/c1-11(2)16(22)17-10-12(3)24-9-8-23-7-6-15(21)25-18-13(19)4-5-14(18)20/h12H,1,4-10H2,2-3H3,(H,17,22)
• InChIKey: NNLPXUJDZSXLLY-UHFFFAOYSA-N
• XLogP: 0.10
• TPSA: 111.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.38
LogP ≤ 5	0.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-[1-(2-methylprop-2-enoylamino)propan-2-yloxy]ethoxy]propanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-[1-(2-methylprop-2-enoylamino)propan-2-yloxy]ethoxy]propanoate (CID 170195190) is (2,5-dioxopyrrolidin-1-yl) 3-[2-[1-(2-methylprop-2-enoylamino)propan-2-yloxy]ethoxy]propanoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[2-[1-(2-methylprop-2-enoylamino)propan-2-yloxy]ethoxy]propanoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[2-[1-(2-methylprop-2-enoylamino)propan-2-yloxy]ethoxy]propanoate is C=C(C)C(=O)NCC(C)OCCOCCC(=O)ON1C(=O)CCC1=O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[2-[1-(2-methylprop-2-enoylamino)propan-2-yloxy]ethoxy]propanoate?

The InChIKey is NNLPXUJDZSXLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O7/c1-11(2)16(22)17-10-12(3)24-9-8-23-7-6-15(21)25-18-13(19)4-5-14(18)20/h12H,1,4-10H2,2-3H3,(H,17,22).

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[2-[1-(2-methylprop-2-enoylamino)propan-2-yloxy]ethoxy]propanoate?

(2,5-dioxopyrrolidin-1-yl) 3-[2-[1-(2-methylprop-2-enoylamino)propan-2-yloxy]ethoxy]propanoate has a molecular weight of 356.38 g/mol, XLogP of 0.10, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 3-[2-[1-(2-methylprop-2-enoylamino)propan-2-yloxy]ethoxy]propanoate is sourced from PubChem (CID 170195190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).