ethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(propylamino)butanoate

C15H26N2O4 — CID 65301592

IUPACethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(propylamino)butanoate
SMILESCCCNC(CCN1C(=O)CC(C)(C)C1=O)C(=O)OCC
InChIInChI=1S/C15H26N2O4/c1-5-8-16-11(13(19)21-6-2)7-9-17-12(18)10-15(3,4)14(17)20/h11,16H,5-10H2,1-4H3
InChIKeyAAJFSUPMFJNMAE-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.09
Rot. Bonds8

About ethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(propylamino)butanoate

ethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(propylamino)butanoate (PubChem CID 65301592) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is ethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(propylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(propylamino)butanoate
PubChem CID65301592
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Nameethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(propylamino)butanoate
SMILESCCCNC(CCN1C(=O)CC(C)(C)C1=O)C(=O)OCC
InChIInChI=1S/C15H26N2O4/c1-5-8-16-11(13(19)21-6-2)7-9-17-12(18)10-15(3,4)14(17)20/h11,16H,5-10H2,1-4H3
InChIKeyAAJFSUPMFJNMAE-UHFFFAOYSA-N
XLogP1.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(propylamino)butanoate?
The IUPAC name of ethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(propylamino)butanoate (CID 65301592) is ethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(propylamino)butanoate.
What is the SMILES notation for ethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(propylamino)butanoate?
The canonical SMILES for ethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(propylamino)butanoate is CCCNC(CCN1C(=O)CC(C)(C)C1=O)C(=O)OCC.
What is the InChIKey of ethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(propylamino)butanoate?
The InChIKey is AAJFSUPMFJNMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-5-8-16-11(13(19)21-6-2)7-9-17-12(18)10-15(3,4)14(17)20/h11,16H,5-10H2,1-4H3.
What are the key properties of ethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(propylamino)butanoate?
ethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(propylamino)butanoate has a molecular weight of 298.38 g/mol, XLogP of 1.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(propylamino)butanoate is sourced from PubChem (CID 65301592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).