(2,5-dioxopyrrolidin-1-yl) 4-[3-[[2-[3-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]propanoylamino]acetyl]amino]propanoylamino]butanoate

C24H32N6O10 — CID 167142844

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-[3-[[2-[3-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]propanoylamino]acetyl]amino]propanoylamino]butanoate
SMILESO=C(CCCN1C(=O)C=CC1=O)NCCC(=O)NCC(=O)NCCC(=O)NCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C24H32N6O10/c31-16(3-2-14-29-20(35)5-6-21(29)36)26-12-10-18(33)28-15-19(34)27-13-9-17(32)25-11-1-4-24(39)40-30-22(37)7-8-23(30)38/h5-6H,1-4,7-15H2,(H,25,32)(H,26,31)(H,27,34)(H,28,33)
InChIKeyKCPHVBSOZBOORR-UHFFFAOYSA-N
MW564.55 g/mol
LogP-2.68
Rot. Bonds17

About (2,5-dioxopyrrolidin-1-yl) 4-[3-[[2-[3-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]propanoylamino]acetyl]amino]propanoylamino]butanoate

(2,5-dioxopyrrolidin-1-yl) 4-[3-[[2-[3-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]propanoylamino]acetyl]amino]propanoylamino]butanoate (PubChem CID 167142844) has the molecular formula C24H32N6O10 and a molecular weight of 564.55 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[3-[[2-[3-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]propanoylamino]acetyl]amino]propanoylamino]butanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-[3-[[2-[3-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]propanoylamino]acetyl]amino]propanoylamino]butanoate
PubChem CID167142844
Molecular FormulaC24H32N6O10
Molecular Weight564.55 g/mol
Exact Mass564.22
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-[3-[[2-[3-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]propanoylamino]acetyl]amino]propanoylamino]butanoate
SMILESO=C(CCCN1C(=O)C=CC1=O)NCCC(=O)NCC(=O)NCCC(=O)NCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C24H32N6O10/c31-16(3-2-14-29-20(35)5-6-21(29)36)26-12-10-18(33)28-15-19(34)27-13-9-17(32)25-11-1-4-24(39)40-30-22(37)7-8-23(30)38/h5-6H,1-4,7-15H2,(H,25,32)(H,26,31)(H,27,34)(H,28,33)
InChIKeyKCPHVBSOZBOORR-UHFFFAOYSA-N
XLogP-2.68
TPSA217.46 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.55
LogP ≤ 5-2.68
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-[3-[[2-[3-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]propanoylamino]acetyl]amino]propanoylamino]butanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[3-[[2-[3-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]propanoylamino]acetyl]amino]propanoylamino]butanoate (CID 167142844) is (2,5-dioxopyrrolidin-1-yl) 4-[3-[[2-[3-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]propanoylamino]acetyl]amino]propanoylamino]butanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-[3-[[2-[3-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]propanoylamino]acetyl]amino]propanoylamino]butanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-[3-[[2-[3-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]propanoylamino]acetyl]amino]propanoylamino]butanoate is O=C(CCCN1C(=O)C=CC1=O)NCCC(=O)NCC(=O)NCCC(=O)NCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-[3-[[2-[3-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]propanoylamino]acetyl]amino]propanoylamino]butanoate?
The InChIKey is KCPHVBSOZBOORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O10/c31-16(3-2-14-29-20(35)5-6-21(29)36)26-12-10-18(33)28-15-19(34)27-13-9-17(32)25-11-1-4-24(39)40-30-22(37)7-8-23(30)38/h5-6H,1-4,7-15H2,(H,25,32)(H,26,31)(H,27,34)(H,28,33).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-[3-[[2-[3-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]propanoylamino]acetyl]amino]propanoylamino]butanoate?
(2,5-dioxopyrrolidin-1-yl) 4-[3-[[2-[3-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]propanoylamino]acetyl]amino]propanoylamino]butanoate has a molecular weight of 564.55 g/mol, XLogP of -2.68, 17 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-[3-[[2-[3-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]propanoylamino]acetyl]amino]propanoylamino]butanoate is sourced from PubChem (CID 167142844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).