(2,5-dioxopyrrolidin-1-yl) 6-[3-(2,6-dioxo-3H-pyridin-1-yl)propanoylamino]hexanoate

C18H23N3O7 — CID 154946064

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-[3-(2,6-dioxo-3H-pyridin-1-yl)propanoylamino]hexanoate
SMILESO=C(CCN1C(=O)C=CCC1=O)NCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C18H23N3O7/c22-13(10-12-20-14(23)5-4-6-15(20)24)19-11-3-1-2-7-18(27)28-21-16(25)8-9-17(21)26/h4-5H,1-3,6-12H2,(H,19,22)
InChIKeyNCGPMRNJXWKZQJ-UHFFFAOYSA-N
MW393.40 g/mol
LogP-0.02
Rot. Bonds10

About (2,5-dioxopyrrolidin-1-yl) 6-[3-(2,6-dioxo-3H-pyridin-1-yl)propanoylamino]hexanoate

(2,5-dioxopyrrolidin-1-yl) 6-[3-(2,6-dioxo-3H-pyridin-1-yl)propanoylamino]hexanoate (PubChem CID 154946064) has the molecular formula C18H23N3O7 and a molecular weight of 393.40 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-[3-(2,6-dioxo-3H-pyridin-1-yl)propanoylamino]hexanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-[3-(2,6-dioxo-3H-pyridin-1-yl)propanoylamino]hexanoate
PubChem CID154946064
Molecular FormulaC18H23N3O7
Molecular Weight393.40 g/mol
Exact Mass393.15
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-[3-(2,6-dioxo-3H-pyridin-1-yl)propanoylamino]hexanoate
SMILESO=C(CCN1C(=O)C=CCC1=O)NCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C18H23N3O7/c22-13(10-12-20-14(23)5-4-6-15(20)24)19-11-3-1-2-7-18(27)28-21-16(25)8-9-17(21)26/h4-5H,1-3,6-12H2,(H,19,22)
InChIKeyNCGPMRNJXWKZQJ-UHFFFAOYSA-N
XLogP-0.02
TPSA130.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 5-0.02
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-[3-(2,6-dioxo-3H-pyridin-1-yl)propanoylamino]hexanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[3-(2,6-dioxo-3H-pyridin-1-yl)propanoylamino]hexanoate (CID 154946064) is (2,5-dioxopyrrolidin-1-yl) 6-[3-(2,6-dioxo-3H-pyridin-1-yl)propanoylamino]hexanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-[3-(2,6-dioxo-3H-pyridin-1-yl)propanoylamino]hexanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-[3-(2,6-dioxo-3H-pyridin-1-yl)propanoylamino]hexanoate is O=C(CCN1C(=O)C=CCC1=O)NCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-[3-(2,6-dioxo-3H-pyridin-1-yl)propanoylamino]hexanoate?
The InChIKey is NCGPMRNJXWKZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O7/c22-13(10-12-20-14(23)5-4-6-15(20)24)19-11-3-1-2-7-18(27)28-21-16(25)8-9-17(21)26/h4-5H,1-3,6-12H2,(H,19,22).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-[3-(2,6-dioxo-3H-pyridin-1-yl)propanoylamino]hexanoate?
(2,5-dioxopyrrolidin-1-yl) 6-[3-(2,6-dioxo-3H-pyridin-1-yl)propanoylamino]hexanoate has a molecular weight of 393.40 g/mol, XLogP of -0.02, 10 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-[3-(2,6-dioxo-3H-pyridin-1-yl)propanoylamino]hexanoate is sourced from PubChem (CID 154946064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).