4-[ethyl-(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]oxolane-3-carboxylic acid

C13H20N2O5 — CID 66247666

IUPAC4-[ethyl-(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]oxolane-3-carboxylic acid
SMILESCCN1C(=O)CC(N(CC)C2COCC2C(=O)O)C1=O
InChIInChI=1S/C13H20N2O5/c1-3-14(10-7-20-6-8(10)13(18)19)9-5-11(16)15(4-2)12(9)17/h8-10H,3-7H2,1-2H3,(H,18,19)
InChIKeyDMRVJERQNJHXGI-UHFFFAOYSA-N
MW284.31 g/mol
LogP-0.44
Rot. Bonds5

About 4-[ethyl-(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]oxolane-3-carboxylic acid

4-[ethyl-(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]oxolane-3-carboxylic acid (PubChem CID 66247666) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 4-[ethyl-(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]oxolane-3-carboxylic acid
PubChem CID66247666
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name4-[ethyl-(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]oxolane-3-carboxylic acid
SMILESCCN1C(=O)CC(N(CC)C2COCC2C(=O)O)C1=O
InChIInChI=1S/C13H20N2O5/c1-3-14(10-7-20-6-8(10)13(18)19)9-5-11(16)15(4-2)12(9)17/h8-10H,3-7H2,1-2H3,(H,18,19)
InChIKeyDMRVJERQNJHXGI-UHFFFAOYSA-N
XLogP-0.44
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[ethyl-(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]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-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66247422
4-[ethyl(thian-4-yl)amino]oxolane-3-carboxylic acid
CID 66245719
4-[ethyl-(1-propylpiperidin-4-yl)amino]oxolane-3-carboxylic acid
CID 66244930
4-[ethyl-(2-methoxycyclohexyl)amino]oxolane-3-carboxylic acid
CID 106874529
4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-ethylamino]oxolane-3-carboxylic acid
CID 66247220
4-[(2,2-dimethylcyclopentyl)-ethylamino]oxolane-3-carboxylic acid
CID 79863742
4-[ethyl-[4-(trifluoromethyl)cyclohexyl]amino]oxolane-3-carboxylic acid
CID 66247310
4-[cyclohex-2-en-1-yl(ethyl)amino]oxolane-3-carboxylic acid
CID 114620459
3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)-methylamino]-2-methylpropanoic acid
CID 55007841
4-[(3-methylcyclobutyl)-propylamino]oxolane-3-carboxylic acid
CID 103565205
4-[ethyl-[(4-methylsulfanylphenyl)methyl]amino]oxolane-3-carboxylic acid
CID 66245299
4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]oxolane-3-carboxylic acid
CID 107530385

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]oxolane-3-carboxylic acid (CID 66247666) is 4-[ethyl-(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]oxolane-3-carboxylic acid is CCN1C(=O)CC(N(CC)C2COCC2C(=O)O)C1=O.
What is the InChIKey of 4-[ethyl-(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is DMRVJERQNJHXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-3-14(10-7-20-6-8(10)13(18)19)9-5-11(16)15(4-2)12(9)17/h8-10H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 4-[ethyl-(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]oxolane-3-carboxylic acid?
4-[ethyl-(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 284.31 g/mol, XLogP of -0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66247666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).