N-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide

C22H26N6O6 — CID 170396123

About N-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide

N-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide (PubChem CID 170396123) has the molecular formula C22H26N6O6 and a molecular weight of 470.49 g/mol. Its IUPAC name is N-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide.

Molecular Properties

• Compound Name: N-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide
• PubChem CID: 170396123
• Molecular Formula: C22H26N6O6
• Molecular Weight: 470.49 g/mol
• Exact Mass: 470.19
• IUPAC Name: N-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide
• SMILES: N[C@H]1CCN(C(=O)CCNC(=O)CNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1
• InChI: InChI=1S/C22H26N6O6/c23-12-7-9-27(11-12)18(31)6-8-24-17(30)10-25-14-3-1-2-13-19(14)22(34)28(21(13)33)15-4-5-16(29)26-20(15)32/h1-3,12,15,25H,4-11,23H2,(H,24,30)(H,26,29,32)/t12-,15?/m0/s1
• InChIKey: WOBIYHWNOQCAFZ-SFVWDYPZSA-N
• XLogP: -1.43
• TPSA: 171.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.49
LogP ≤ 5	-1.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide?

The IUPAC name of N-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide (CID 170396123) is N-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide.

What is the SMILES notation for N-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide?

The canonical SMILES for N-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide is N[C@H]1CCN(C(=O)CCNC(=O)CNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1.

What is the InChIKey of N-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide?

The InChIKey is WOBIYHWNOQCAFZ-SFVWDYPZSA-N. The full InChI is InChI=1S/C22H26N6O6/c23-12-7-9-27(11-12)18(31)6-8-24-17(30)10-25-14-3-1-2-13-19(14)22(34)28(21(13)33)15-4-5-16(29)26-20(15)32/h1-3,12,15,25H,4-11,23H2,(H,24,30)(H,26,29,32)/t12-,15?/m0/s1.

What are the key properties of N-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide?

N-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide has a molecular weight of 470.49 g/mol, XLogP of -1.43, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide is sourced from PubChem (CID 170396123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).