4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-ethylamino]oxolane-3-carboxylic acid

C12H17N3O6 — CID 66247220

IUPAC4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)CN1C(=O)CNC1=O)C1COCC1C(=O)O
InChIInChI=1S/C12H17N3O6/c1-2-14(8-6-21-5-7(8)11(18)19)10(17)4-15-9(16)3-13-12(15)20/h7-8H,2-6H2,1H3,(H,13,20)(H,18,19)
InChIKeyFZILGEDVKOHACM-UHFFFAOYSA-N
MW299.28 g/mol
LogP-1.51
Rot. Bonds5

About 4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-ethylamino]oxolane-3-carboxylic acid

4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-ethylamino]oxolane-3-carboxylic acid (PubChem CID 66247220) has the molecular formula C12H17N3O6 and a molecular weight of 299.28 g/mol. Its IUPAC name is 4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-ethylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-ethylamino]oxolane-3-carboxylic acid
PubChem CID66247220
Molecular FormulaC12H17N3O6
Molecular Weight299.28 g/mol
Exact Mass299.11
IUPAC Name4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)CN1C(=O)CNC1=O)C1COCC1C(=O)O
InChIInChI=1S/C12H17N3O6/c1-2-14(8-6-21-5-7(8)11(18)19)10(17)4-15-9(16)3-13-12(15)20/h7-8H,2-6H2,1H3,(H,13,20)(H,18,19)
InChIKeyFZILGEDVKOHACM-UHFFFAOYSA-N
XLogP-1.51
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-ethylamino]oxolane-3-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-[ethyl-(2-methyl-3-oxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66246337
4-[(2-acetamidoacetyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245449
4-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]oxolane-3-carboxylic acid
CID 66246837
4-[ethyl-[2-(4-methylphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 66246021
4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-propylamino]oxolane-3-carboxylic acid
CID 66251659
4-[ethyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxolane-3-carboxylic acid
CID 112602262
4-[[2-(cyanomethylsulfanyl)acetyl]-ethylamino]oxolane-3-carboxylic acid
CID 66247828
4-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66247422
4-[ethyl(methylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245135
2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid
CID 60826612
4-[(2-piperazin-1-ylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 66257035
4-[ethyl-(2-thiophen-2-ylacetyl)amino]oxolane-3-carboxylic acid
CID 66245055

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-ethylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-ethylamino]oxolane-3-carboxylic acid (CID 66247220) is 4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-ethylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-ethylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-ethylamino]oxolane-3-carboxylic acid is CCN(C(=O)CN1C(=O)CNC1=O)C1COCC1C(=O)O.
What is the InChIKey of 4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-ethylamino]oxolane-3-carboxylic acid?
The InChIKey is FZILGEDVKOHACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O6/c1-2-14(8-6-21-5-7(8)11(18)19)10(17)4-15-9(16)3-13-12(15)20/h7-8H,2-6H2,1H3,(H,13,20)(H,18,19).
What are the key properties of 4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-ethylamino]oxolane-3-carboxylic acid?
4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-ethylamino]oxolane-3-carboxylic acid has a molecular weight of 299.28 g/mol, XLogP of -1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-ethylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66247220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).