carboxy 6-aminodecanoate;1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione

C26H39N3O8 — CID 87167982

About carboxy 6-aminodecanoate;1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione

carboxy 6-aminodecanoate;1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione (PubChem CID 87167982) has the molecular formula C26H39N3O8 and a molecular weight of 521.61 g/mol. Its IUPAC name is carboxy 6-aminodecanoate;1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione.

Molecular Properties

• Compound Name: carboxy 6-aminodecanoate;1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione
• PubChem CID: 87167982
• Molecular Formula: C26H39N3O8
• Molecular Weight: 521.61 g/mol
• Exact Mass: 521.27
• IUPAC Name: carboxy 6-aminodecanoate;1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione
• SMILES: CCCCC(N)CCCCC(=O)OC(=O)O.O=C1C=CC(=O)N1CC1CCC(N2C(=O)CCC2=O)CC1
• InChI: InChI=1S/C15H18N2O4.C11H21NO4/c18-12-5-6-13(19)16(12)9-10-1-3-11(4-2-10)17-14(20)7-8-15(17)21;1-2-3-6-9(12)7-4-5-8-10(13)16-11(14)15/h5-6,10-11H,1-4,7-9H2;9H,2-8,12H2,1H3,(H,14,15)
• InChIKey: QUPFZPDAQVCCDC-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 164.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.61
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carboxy 6-aminodecanoate;1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione?

The IUPAC name of carboxy 6-aminodecanoate;1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione (CID 87167982) is carboxy 6-aminodecanoate;1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione.

What is the SMILES notation for carboxy 6-aminodecanoate;1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione?

The canonical SMILES for carboxy 6-aminodecanoate;1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione is CCCCC(N)CCCCC(=O)OC(=O)O.O=C1C=CC(=O)N1CC1CCC(N2C(=O)CCC2=O)CC1.

What is the InChIKey of carboxy 6-aminodecanoate;1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione?

The InChIKey is QUPFZPDAQVCCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4.C11H21NO4/c18-12-5-6-13(19)16(12)9-10-1-3-11(4-2-10)17-14(20)7-8-15(17)21;1-2-3-6-9(12)7-4-5-8-10(13)16-11(14)15/h5-6,10-11H,1-4,7-9H2;9H,2-8,12H2,1H3,(H,14,15).

What are the key properties of carboxy 6-aminodecanoate;1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione?

carboxy 6-aminodecanoate;1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione has a molecular weight of 521.61 g/mol, XLogP of 2.90, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for carboxy 6-aminodecanoate;1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione is sourced from PubChem (CID 87167982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).