(2,5-dioxopyrrolidin-1-yl) 3-(dodecanoylamino)propanoate

C19H32N2O5 — CID 18419952

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-(dodecanoylamino)propanoate
SMILESCCCCCCCCCCCC(=O)NCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C19H32N2O5/c1-2-3-4-5-6-7-8-9-10-11-16(22)20-15-14-19(25)26-21-17(23)12-13-18(21)24/h2-15H2,1H3,(H,20,22)
InChIKeyYVHVNUNAHYGTTO-UHFFFAOYSA-N
MW368.47 g/mol
LogP3.02
Rot. Bonds14

About (2,5-dioxopyrrolidin-1-yl) 3-(dodecanoylamino)propanoate

(2,5-dioxopyrrolidin-1-yl) 3-(dodecanoylamino)propanoate (PubChem CID 18419952) has the molecular formula C19H32N2O5 and a molecular weight of 368.47 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-(dodecanoylamino)propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-(dodecanoylamino)propanoate
PubChem CID18419952
Molecular FormulaC19H32N2O5
Molecular Weight368.47 g/mol
Exact Mass368.23
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-(dodecanoylamino)propanoate
SMILESCCCCCCCCCCCC(=O)NCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C19H32N2O5/c1-2-3-4-5-6-7-8-9-10-11-16(22)20-15-14-19(25)26-21-17(23)12-13-18(21)24/h2-15H2,1H3,(H,20,22)
InChIKeyYVHVNUNAHYGTTO-UHFFFAOYSA-N
XLogP3.02
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2,5-dioxopyrrolidin-1-yl) 3-(dodecanoylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(dodecanoylamino)propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(dodecanoylamino)propanoate (CID 18419952) is (2,5-dioxopyrrolidin-1-yl) 3-(dodecanoylamino)propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-(dodecanoylamino)propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-(dodecanoylamino)propanoate is CCCCCCCCCCCC(=O)NCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-(dodecanoylamino)propanoate?
The InChIKey is YVHVNUNAHYGTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O5/c1-2-3-4-5-6-7-8-9-10-11-16(22)20-15-14-19(25)26-21-17(23)12-13-18(21)24/h2-15H2,1H3,(H,20,22).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-(dodecanoylamino)propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-(dodecanoylamino)propanoate has a molecular weight of 368.47 g/mol, XLogP of 3.02, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-(dodecanoylamino)propanoate is sourced from PubChem (CID 18419952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).