(2,5-dioxopyrrol-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate

C17H19N3O7 — CID 140896707

IUPAC(2,5-dioxopyrrol-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate
SMILESO=C(CCN1C(=O)C=CC1=O)NCCCCCC(=O)ON1C(=O)C=CC1=O
InChIInChI=1S/C17H19N3O7/c21-12(9-11-19-13(22)5-6-14(19)23)18-10-3-1-2-4-17(26)27-20-15(24)7-8-16(20)25/h5-8H,1-4,9-11H2,(H,18,21)
InChIKeyRDEBPDLUFMUKHG-UHFFFAOYSA-N
MW377.35 g/mol
LogP-0.64
Rot. Bonds10

About (2,5-dioxopyrrol-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate

(2,5-dioxopyrrol-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate (PubChem CID 140896707) has the molecular formula C17H19N3O7 and a molecular weight of 377.35 g/mol. Its IUPAC name is (2,5-dioxopyrrol-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrol-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate
PubChem CID140896707
Molecular FormulaC17H19N3O7
Molecular Weight377.35 g/mol
Exact Mass377.12
IUPAC Name(2,5-dioxopyrrol-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate
SMILESO=C(CCN1C(=O)C=CC1=O)NCCCCCC(=O)ON1C(=O)C=CC1=O
InChIInChI=1S/C17H19N3O7/c21-12(9-11-19-13(22)5-6-14(19)23)18-10-3-1-2-4-17(26)27-20-15(24)7-8-16(20)25/h5-8H,1-4,9-11H2,(H,18,21)
InChIKeyRDEBPDLUFMUKHG-UHFFFAOYSA-N
XLogP-0.64
TPSA130.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 5-0.64
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-dioxopyrrol-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate?
The IUPAC name of (2,5-dioxopyrrol-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate (CID 140896707) is (2,5-dioxopyrrol-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate.
What is the SMILES notation for (2,5-dioxopyrrol-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate?
The canonical SMILES for (2,5-dioxopyrrol-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate is O=C(CCN1C(=O)C=CC1=O)NCCCCCC(=O)ON1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dioxopyrrol-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate?
The InChIKey is RDEBPDLUFMUKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O7/c21-12(9-11-19-13(22)5-6-14(19)23)18-10-3-1-2-4-17(26)27-20-15(24)7-8-16(20)25/h5-8H,1-4,9-11H2,(H,18,21).
What are the key properties of (2,5-dioxopyrrol-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate?
(2,5-dioxopyrrol-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate has a molecular weight of 377.35 g/mol, XLogP of -0.64, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrol-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate is sourced from PubChem (CID 140896707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).