(2,5-dioxopyrrolidin-1-yl) 3-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]-1-hydroxyethyl]amino]propanoate;molecular hydrogen

C21H36N6O10 — CID 144601909

About (2,5-dioxopyrrolidin-1-yl) 3-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]-1-hydroxyethyl]amino]propanoate;molecular hydrogen

(2,5-dioxopyrrolidin-1-yl) 3-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]-1-hydroxyethyl]amino]propanoate;molecular hydrogen (PubChem CID 144601909) has the molecular formula C21H36N6O10 and a molecular weight of 532.55 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]-1-hydroxyethyl]amino]propanoate;molecular hydrogen.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 3-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]-1-hydroxyethyl]amino]propanoate;molecular hydrogen
• PubChem CID: 144601909
• Molecular Formula: C21H36N6O10
• Molecular Weight: 532.55 g/mol
• Exact Mass: 532.25
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]-1-hydroxyethyl]amino]propanoate;molecular hydrogen
• SMILES: O=C(CCCN1C(=O)C=CC1=O)NCC(=O)NCC(=O)NCC(O)NCCC(=O)ON1C(=O)CCC1=O.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C21H28N6O10.4H2/c28-13(2-1-9-26-17(32)3-4-18(26)33)23-11-15(30)25-12-16(31)24-10-14(29)22-8-7-21(36)37-27-19(34)5-6-20(27)35;;;;/h3-4,14,22,29H,1-2,5-12H2,(H,23,28)(H,24,31)(H,25,30);4*1H
• InChIKey: WOBMAPHSCTUSJR-UHFFFAOYSA-N
• XLogP: -3.07
• TPSA: 220.62 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.55
LogP ≤ 5	-3.07
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', '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-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]-1-hydroxyethyl]amino]propanoate;molecular hydrogen?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]-1-hydroxyethyl]amino]propanoate;molecular hydrogen (CID 144601909) is (2,5-dioxopyrrolidin-1-yl) 3-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]-1-hydroxyethyl]amino]propanoate;molecular hydrogen.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]-1-hydroxyethyl]amino]propanoate;molecular hydrogen?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]-1-hydroxyethyl]amino]propanoate;molecular hydrogen is O=C(CCCN1C(=O)C=CC1=O)NCC(=O)NCC(=O)NCC(O)NCCC(=O)ON1C(=O)CCC1=O.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]-1-hydroxyethyl]amino]propanoate;molecular hydrogen?

The InChIKey is WOBMAPHSCTUSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O10.4H2/c28-13(2-1-9-26-17(32)3-4-18(26)33)23-11-15(30)25-12-16(31)24-10-14(29)22-8-7-21(36)37-27-19(34)5-6-20(27)35;;;;/h3-4,14,22,29H,1-2,5-12H2,(H,23,28)(H,24,31)(H,25,30);4*1H.

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]-1-hydroxyethyl]amino]propanoate;molecular hydrogen?

(2,5-dioxopyrrolidin-1-yl) 3-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]-1-hydroxyethyl]amino]propanoate;molecular hydrogen has a molecular weight of 532.55 g/mol, XLogP of -3.07, 15 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 3-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]-1-hydroxyethyl]amino]propanoate;molecular hydrogen is sourced from PubChem (CID 144601909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).