diethyl 2-(dipropylamino)propanedioate

C13H25NO4 — CID 15744966

IUPACdiethyl 2-(dipropylamino)propanedioate
SMILESCCCN(CCC)C(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C13H25NO4/c1-5-9-14(10-6-2)11(12(15)17-7-3)13(16)18-8-4/h11H,5-10H2,1-4H3
InChIKeyUVXPPRDKOGYPOT-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.60
Rot. Bonds9

About diethyl 2-(dipropylamino)propanedioate

diethyl 2-(dipropylamino)propanedioate (PubChem CID 15744966) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is diethyl 2-(dipropylamino)propanedioate.

Molecular Properties

Compound Namediethyl 2-(dipropylamino)propanedioate
PubChem CID15744966
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Namediethyl 2-(dipropylamino)propanedioate
SMILESCCCN(CCC)C(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C13H25NO4/c1-5-9-14(10-6-2)11(12(15)17-7-3)13(16)18-8-4/h11H,5-10H2,1-4H3
InChIKeyUVXPPRDKOGYPOT-UHFFFAOYSA-N
XLogP1.60
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze diethyl 2-(dipropylamino)propanedioate 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 diethyl 2-(dipropylamino)propanedioate?
The IUPAC name of diethyl 2-(dipropylamino)propanedioate (CID 15744966) is diethyl 2-(dipropylamino)propanedioate.
What is the SMILES notation for diethyl 2-(dipropylamino)propanedioate?
The canonical SMILES for diethyl 2-(dipropylamino)propanedioate is CCCN(CCC)C(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-(dipropylamino)propanedioate?
The InChIKey is UVXPPRDKOGYPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-5-9-14(10-6-2)11(12(15)17-7-3)13(16)18-8-4/h11H,5-10H2,1-4H3.
What are the key properties of diethyl 2-(dipropylamino)propanedioate?
diethyl 2-(dipropylamino)propanedioate has a molecular weight of 259.35 g/mol, XLogP of 1.60, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(dipropylamino)propanedioate is sourced from PubChem (CID 15744966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).