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

C19H24N2O9 — CID 78323331

IUPAC[1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy-2-methylpropyl] 6-(2,5-dioxopyrrol-1-yl)hexanoate
SMILESCC(C)C(OC(=O)CCCCCN1C(=O)C=CC1=O)OC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C19H24N2O9/c1-12(2)18(29-19(27)30-21-15(24)9-10-16(21)25)28-17(26)6-4-3-5-11-20-13(22)7-8-14(20)23/h7-8,12,18H,3-6,9-11H2,1-2H3
InChIKeyRZMPSSTWHUBWKF-UHFFFAOYSA-N
MW424.41 g/mol
LogP1.21
Rot. Bonds10

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

[1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy-2-methylpropyl] 6-(2,5-dioxopyrrol-1-yl)hexanoate (PubChem CID 78323331) has the molecular formula C19H24N2O9 and a molecular weight of 424.41 g/mol. Its IUPAC name is [1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy-2-methylpropyl] 6-(2,5-dioxopyrrol-1-yl)hexanoate.

Molecular Properties

Compound Name[1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy-2-methylpropyl] 6-(2,5-dioxopyrrol-1-yl)hexanoate
PubChem CID78323331
Molecular FormulaC19H24N2O9
Molecular Weight424.41 g/mol
Exact Mass424.15
IUPAC Name[1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy-2-methylpropyl] 6-(2,5-dioxopyrrol-1-yl)hexanoate
SMILESCC(C)C(OC(=O)CCCCCN1C(=O)C=CC1=O)OC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C19H24N2O9/c1-12(2)18(29-19(27)30-21-15(24)9-10-16(21)25)28-17(26)6-4-3-5-11-20-13(22)7-8-14(20)23/h7-8,12,18H,3-6,9-11H2,1-2H3
InChIKeyRZMPSSTWHUBWKF-UHFFFAOYSA-N
XLogP1.21
TPSA136.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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)oxycarbonyloxy-2-methylpropyl] 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The IUPAC name of [1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy-2-methylpropyl] 6-(2,5-dioxopyrrol-1-yl)hexanoate (CID 78323331) is [1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy-2-methylpropyl] 6-(2,5-dioxopyrrol-1-yl)hexanoate.
What is the SMILES notation for [1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy-2-methylpropyl] 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The canonical SMILES for [1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy-2-methylpropyl] 6-(2,5-dioxopyrrol-1-yl)hexanoate is CC(C)C(OC(=O)CCCCCN1C(=O)C=CC1=O)OC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of [1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy-2-methylpropyl] 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The InChIKey is RZMPSSTWHUBWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O9/c1-12(2)18(29-19(27)30-21-15(24)9-10-16(21)25)28-17(26)6-4-3-5-11-20-13(22)7-8-14(20)23/h7-8,12,18H,3-6,9-11H2,1-2H3.
What are the key properties of [1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy-2-methylpropyl] 6-(2,5-dioxopyrrol-1-yl)hexanoate?
[1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy-2-methylpropyl] 6-(2,5-dioxopyrrol-1-yl)hexanoate has a molecular weight of 424.41 g/mol, XLogP of 1.21, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy-2-methylpropyl] 6-(2,5-dioxopyrrol-1-yl)hexanoate is sourced from PubChem (CID 78323331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).