GNJHFZCUGPNWAT-UHFFFAOYSA-N

C₁₉H₂₅N₃O₇ — CID 87218236

About GNJHFZCUGPNWAT-UHFFFAOYSA-N

GNJHFZCUGPNWAT-UHFFFAOYSA-N (PubChem CID 87218236) has the molecular formula C₁₉H₂₅N₃O₇ and a molecular weight of 407.42 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 8-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]octanoate.

Molecular Properties

• Compound Name: GNJHFZCUGPNWAT-UHFFFAOYSA-N
• PubChem CID: 87218236
• Molecular Formula: C₁₉H₂₅N₃O₇
• Molecular Weight: 407.42 g/mol
• Exact Mass: 407.17
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 8-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]octanoate
• SMILES: O=C(CCN1C(=O)C=CC1=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C19H25N3O7/c23-14(11-13-21-15(24)7-8-16(21)25)20-12-5-3-1-2-4-6-19(28)29-22-17(26)9-10-18(22)27/h7-8H,1-6,9-13H2,(H,20,23)
• InChIKey: GNJHFZCUGPNWAT-UHFFFAOYSA-N
• XLogP: 0.37
• TPSA: 130.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.42
LogP ≤ 5	0.37
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': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of GNJHFZCUGPNWAT-UHFFFAOYSA-N?

The IUPAC name of GNJHFZCUGPNWAT-UHFFFAOYSA-N (CID 87218236) is (2,5-dioxopyrrolidin-1-yl) 8-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]octanoate.

What is the SMILES notation for GNJHFZCUGPNWAT-UHFFFAOYSA-N?

The canonical SMILES for GNJHFZCUGPNWAT-UHFFFAOYSA-N is O=C(CCN1C(=O)C=CC1=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O.

What is the InChIKey of GNJHFZCUGPNWAT-UHFFFAOYSA-N?

The InChIKey is GNJHFZCUGPNWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O7/c23-14(11-13-21-15(24)7-8-16(21)25)20-12-5-3-1-2-4-6-19(28)29-22-17(26)9-10-18(22)27/h7-8H,1-6,9-13H2,(H,20,23).

What are the key properties of GNJHFZCUGPNWAT-UHFFFAOYSA-N?

GNJHFZCUGPNWAT-UHFFFAOYSA-N has a molecular weight of 407.42 g/mol, XLogP of 0.37, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for GNJHFZCUGPNWAT-UHFFFAOYSA-N is sourced from PubChem (CID 87218236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 87218236 — identifiers, structure, computed properties (public domain)

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