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

C24H33N3O10 — CID 90373603

IUPAC1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoate
SMILESCCC(OC(=O)CCCCCNC(=O)CCCCCN1C(=O)C=CC1=O)OC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C24H33N3O10/c1-2-23(36-24(34)37-27-20(31)13-14-21(27)32)35-22(33)10-6-3-7-15-25-17(28)9-5-4-8-16-26-18(29)11-12-19(26)30/h11-12,23H,2-10,13-16H2,1H3,(H,25,28)
InChIKeyJXVMFUZTYGRLFL-UHFFFAOYSA-N
MW523.54 g/mol
LogP1.64
Rot. Bonds16

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

1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoate (PubChem CID 90373603) has the molecular formula C24H33N3O10 and a molecular weight of 523.54 g/mol. Its IUPAC name is 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoate.

Molecular Properties

Compound Name1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoate
PubChem CID90373603
Molecular FormulaC24H33N3O10
Molecular Weight523.54 g/mol
Exact Mass523.22
IUPAC Name1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoate
SMILESCCC(OC(=O)CCCCCNC(=O)CCCCCN1C(=O)C=CC1=O)OC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C24H33N3O10/c1-2-23(36-24(34)37-27-20(31)13-14-21(27)32)35-22(33)10-6-3-7-15-25-17(28)9-5-4-8-16-26-18(29)11-12-19(26)30/h11-12,23H,2-10,13-16H2,1H3,(H,25,28)
InChIKeyJXVMFUZTYGRLFL-UHFFFAOYSA-N
XLogP1.64
TPSA165.69 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.54
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoate?
The IUPAC name of 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoate (CID 90373603) is 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoate.
What is the SMILES notation for 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoate?
The canonical SMILES for 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoate is CCC(OC(=O)CCCCCNC(=O)CCCCCN1C(=O)C=CC1=O)OC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoate?
The InChIKey is JXVMFUZTYGRLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O10/c1-2-23(36-24(34)37-27-20(31)13-14-21(27)32)35-22(33)10-6-3-7-15-25-17(28)9-5-4-8-16-26-18(29)11-12-19(26)30/h11-12,23H,2-10,13-16H2,1H3,(H,25,28).
What are the key properties of 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoate?
1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoate has a molecular weight of 523.54 g/mol, XLogP of 1.64, 16 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoate is sourced from PubChem (CID 90373603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).