(2,5-dioxopyrrolidin-1-yl) 6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoate

C20H27N3O7 — CID 56650501

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoate
SMILESO=C(CCCCCN1C(=O)C=CC1=O)NCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C20H27N3O7/c24-15(7-3-2-6-14-22-16(25)9-10-17(22)26)21-13-5-1-4-8-20(29)30-23-18(27)11-12-19(23)28/h9-10H,1-8,11-14H2,(H,21,24)
InChIKeyORYSOTITDJRHCL-UHFFFAOYSA-N
MW421.45 g/mol
LogP0.76
Rot. Bonds13

About (2,5-dioxopyrrolidin-1-yl) 6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoate

(2,5-dioxopyrrolidin-1-yl) 6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoate (PubChem CID 56650501) has the molecular formula C20H27N3O7 and a molecular weight of 421.45 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoate
PubChem CID56650501
Molecular FormulaC20H27N3O7
Molecular Weight421.45 g/mol
Exact Mass421.18
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoate
SMILESO=C(CCCCCN1C(=O)C=CC1=O)NCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C20H27N3O7/c24-15(7-3-2-6-14-22-16(25)9-10-17(22)26)21-13-5-1-4-8-20(29)30-23-18(27)11-12-19(23)28/h9-10H,1-8,11-14H2,(H,21,24)
InChIKeyORYSOTITDJRHCL-UHFFFAOYSA-N
XLogP0.76
TPSA130.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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) 6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoate (CID 56650501) is (2,5-dioxopyrrolidin-1-yl) 6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoate is O=C(CCCCCN1C(=O)C=CC1=O)NCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoate?
The InChIKey is ORYSOTITDJRHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O7/c24-15(7-3-2-6-14-22-16(25)9-10-17(22)26)21-13-5-1-4-8-20(29)30-23-18(27)11-12-19(23)28/h9-10H,1-8,11-14H2,(H,21,24).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoate?
(2,5-dioxopyrrolidin-1-yl) 6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoate has a molecular weight of 421.45 g/mol, XLogP of 0.76, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoate is sourced from PubChem (CID 56650501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).