ethyl 2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate

C11H19N3O4 — CID 21357527

IUPACethyl 2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)NC(C)(CCCN)C1=O
InChIInChI=1S/C11H19N3O4/c1-3-18-8(15)7-14-9(16)11(2,5-4-6-12)13-10(14)17/h3-7,12H2,1-2H3,(H,13,17)
InChIKeyFPXKHXNQUJDDSM-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.40
Rot. Bonds6

About ethyl 2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate

ethyl 2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 21357527) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is ethyl 2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID21357527
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Nameethyl 2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)NC(C)(CCCN)C1=O
InChIInChI=1S/C11H19N3O4/c1-3-18-8(15)7-14-9(16)11(2,5-4-6-12)13-10(14)17/h3-7,12H2,1-2H3,(H,13,17)
InChIKeyFPXKHXNQUJDDSM-UHFFFAOYSA-N
XLogP-0.40
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate 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 ethyl 2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate (CID 21357527) is ethyl 2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate is CCOC(=O)CN1C(=O)NC(C)(CCCN)C1=O.
What is the InChIKey of ethyl 2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is FPXKHXNQUJDDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-3-18-8(15)7-14-9(16)11(2,5-4-6-12)13-10(14)17/h3-7,12H2,1-2H3,(H,13,17).
What are the key properties of ethyl 2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
ethyl 2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 257.29 g/mol, XLogP of -0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 21357527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).