4-[ethyl-(2-methyl-3-oxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid

C13H21N3O5 — CID 66246337

IUPAC4-[ethyl-(2-methyl-3-oxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)N1CCNC(=O)C1C)C1COCC1C(=O)O
InChIInChI=1S/C13H21N3O5/c1-3-15(10-7-21-6-9(10)12(18)19)13(20)16-5-4-14-11(17)8(16)2/h8-10H,3-7H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyWRJPLMOSVAIAAG-UHFFFAOYSA-N
MW299.33 g/mol
LogP-0.65
Rot. Bonds3

About 4-[ethyl-(2-methyl-3-oxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid

4-[ethyl-(2-methyl-3-oxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 66246337) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-[ethyl-(2-methyl-3-oxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-(2-methyl-3-oxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID66246337
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC Name4-[ethyl-(2-methyl-3-oxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)N1CCNC(=O)C1C)C1COCC1C(=O)O
InChIInChI=1S/C13H21N3O5/c1-3-15(10-7-21-6-9(10)12(18)19)13(20)16-5-4-14-11(17)8(16)2/h8-10H,3-7H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyWRJPLMOSVAIAAG-UHFFFAOYSA-N
XLogP-0.65
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[ethyl-(2-methyl-3-oxopiperazine-1-carbonyl)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-[Methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid
CID 66237613
4-[[Propyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66239571
4-[[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66239572
4-[Ethyl(3,3,3-trifluoropropylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66246150
4-[Ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid
CID 66247266
4-[[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propylamino]oxolane-3-carboxylic acid
CID 66251697
4-[Propyl(3,3,3-trifluoropropylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66251772
4-[Ethyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]oxolane-3-carboxylic acid
CID 79260847
4-[Propyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]oxolane-3-carboxylic acid
CID 79264613
4-[2-(2,2-Difluoroethoxy)ethylcarbamoyl-ethylamino]oxolane-3-carboxylic acid
CID 105918919
4-[Ethyl(4,4,4-trifluorobutan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 105945207
4-[2,2-Difluoroethylcarbamoyl(ethyl)amino]oxolane-3-carboxylic acid
CID 115408004

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(2-methyl-3-oxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-(2-methyl-3-oxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid (CID 66246337) is 4-[ethyl-(2-methyl-3-oxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-(2-methyl-3-oxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-(2-methyl-3-oxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid is CCN(C(=O)N1CCNC(=O)C1C)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-(2-methyl-3-oxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is WRJPLMOSVAIAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5/c1-3-15(10-7-21-6-9(10)12(18)19)13(20)16-5-4-14-11(17)8(16)2/h8-10H,3-7H2,1-2H3,(H,14,17)(H,18,19).
What are the key properties of 4-[ethyl-(2-methyl-3-oxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid?
4-[ethyl-(2-methyl-3-oxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(2-methyl-3-oxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66246337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).