(2,5-dioxopyrrolidin-1-yl) 4-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]butanoate

C22H28N6O10 — CID 175552081

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]butanoate
SMILESO=C(CCCN1C(=O)C=CC1=O)NCC(=O)NCC(=O)NCC(=O)NCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C22H28N6O10/c29-14(3-2-10-27-18(33)5-6-19(27)34)24-12-16(31)26-13-17(32)25-11-15(30)23-9-1-4-22(37)38-28-20(35)7-8-21(28)36/h5-6H,1-4,7-13H2,(H,23,30)(H,24,29)(H,25,32)(H,26,31)
InChIKeyPKBHVXUETHFMGL-UHFFFAOYSA-N
MW536.50 g/mol
LogP-3.46
Rot. Bonds15

About (2,5-dioxopyrrolidin-1-yl) 4-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]butanoate

(2,5-dioxopyrrolidin-1-yl) 4-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]butanoate (PubChem CID 175552081) has the molecular formula C22H28N6O10 and a molecular weight of 536.50 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]butanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]butanoate
PubChem CID175552081
Molecular FormulaC22H28N6O10
Molecular Weight536.50 g/mol
Exact Mass536.19
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]butanoate
SMILESO=C(CCCN1C(=O)C=CC1=O)NCC(=O)NCC(=O)NCC(=O)NCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C22H28N6O10/c29-14(3-2-10-27-18(33)5-6-19(27)34)24-12-16(31)26-13-17(32)25-11-15(30)23-9-1-4-22(37)38-28-20(35)7-8-21(28)36/h5-6H,1-4,7-13H2,(H,23,30)(H,24,29)(H,25,32)(H,26,31)
InChIKeyPKBHVXUETHFMGL-UHFFFAOYSA-N
XLogP-3.46
TPSA217.46 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.50
LogP ≤ 5-3.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]butanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]butanoate (CID 175552081) is (2,5-dioxopyrrolidin-1-yl) 4-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]butanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]butanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]butanoate is O=C(CCCN1C(=O)C=CC1=O)NCC(=O)NCC(=O)NCC(=O)NCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]butanoate?
The InChIKey is PKBHVXUETHFMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O10/c29-14(3-2-10-27-18(33)5-6-19(27)34)24-12-16(31)26-13-17(32)25-11-15(30)23-9-1-4-22(37)38-28-20(35)7-8-21(28)36/h5-6H,1-4,7-13H2,(H,23,30)(H,24,29)(H,25,32)(H,26,31).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]butanoate?
(2,5-dioxopyrrolidin-1-yl) 4-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]butanoate has a molecular weight of 536.50 g/mol, XLogP of -3.46, 15 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]butanoate is sourced from PubChem (CID 175552081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).