6-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]hexanoic acid

C21H24N4O7 — CID 154675498

About 6-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]hexanoic acid

6-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]hexanoic acid (PubChem CID 154675498) has the molecular formula C21H24N4O7 and a molecular weight of 444.44 g/mol. Its IUPAC name is 6-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]hexanoic acid.

Molecular Properties

• Compound Name: 6-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]hexanoic acid
• PubChem CID: 154675498
• Molecular Formula: C21H24N4O7
• Molecular Weight: 444.44 g/mol
• Exact Mass: 444.16
• IUPAC Name: 6-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]hexanoic acid
• SMILES: O=C(O)CCCCCNC(=O)CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C21H24N4O7/c26-15-9-8-14(19(30)24-15)25-20(31)12-5-4-6-13(18(12)21(25)32)23-11-16(27)22-10-3-1-2-7-17(28)29/h4-6,14,23H,1-3,7-11H2,(H,22,27)(H,28,29)(H,24,26,30)
• InChIKey: PMWDVRWHEKVYEJ-UHFFFAOYSA-N
• XLogP: 0.26
• TPSA: 161.98 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.44
LogP ≤ 5	0.26
H-Bond Donors ≤ 5	4
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 6-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]hexanoic acid?

The IUPAC name of 6-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]hexanoic acid (CID 154675498) is 6-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]hexanoic acid.

What is the SMILES notation for 6-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]hexanoic acid?

The canonical SMILES for 6-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]hexanoic acid is O=C(O)CCCCCNC(=O)CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 6-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]hexanoic acid?

The InChIKey is PMWDVRWHEKVYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O7/c26-15-9-8-14(19(30)24-15)25-20(31)12-5-4-6-13(18(12)21(25)32)23-11-16(27)22-10-3-1-2-7-17(28)29/h4-6,14,23H,1-3,7-11H2,(H,22,27)(H,28,29)(H,24,26,30).

What are the key properties of 6-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]hexanoic acid?

6-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]hexanoic acid has a molecular weight of 444.44 g/mol, XLogP of 0.26, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]hexanoic acid is sourced from PubChem (CID 154675498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).