ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-1-ium-4-carboxylate

C13H22N3O4+ — CID 8931372

IUPACethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-1-ium-4-carboxylate
SMILESCCOC(=O)C1CC[NH+](CC(=O)N2CCNC2=O)CC1
InChIInChI=1S/C13H21N3O4/c1-2-20-12(18)10-3-6-15(7-4-10)9-11(17)16-8-5-14-13(16)19/h10H,2-9H2,1H3,(H,14,19)/p+1
InChIKeyXNWNZLJKNPKOTL-UHFFFAOYSA-O
MW284.34 g/mol
LogP-1.60
Rot. Bonds4

About ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-1-ium-4-carboxylate

ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-1-ium-4-carboxylate (PubChem CID 8931372) has the molecular formula C13H22N3O4+ and a molecular weight of 284.34 g/mol. Its IUPAC name is ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-1-ium-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-1-ium-4-carboxylate
PubChem CID8931372
Molecular FormulaC13H22N3O4+
Molecular Weight284.34 g/mol
Exact Mass284.16
IUPAC Nameethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-1-ium-4-carboxylate
SMILESCCOC(=O)C1CC[NH+](CC(=O)N2CCNC2=O)CC1
InChIInChI=1S/C13H21N3O4/c1-2-20-12(18)10-3-6-15(7-4-10)9-11(17)16-8-5-14-13(16)19/h10H,2-9H2,1H3,(H,14,19)/p+1
InChIKeyXNWNZLJKNPKOTL-UHFFFAOYSA-O
XLogP-1.60
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-1.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-1-ium-4-carboxylate 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

Methyl 1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 2465072
Methyl 1-[2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 4329589
Ethyl (3R)-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-1-ium-3-carboxylate
CID 40032010
Ethyl 1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 4880073
Ethyl 1-[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxylate
CID 2495014
Ethyl 1-[(2,5-dioxopyrrolidin-1-yl)methyl]piperidine-4-carboxylate
CID 753279
ethyl (3S)-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate
CID 40032015
Ethyl 1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 42996458
Ethyl 2-(8-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate
CID 4378088
Methyl 1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]piperidin-1-ium-4-carboxylate
CID 8754720
Methyl 1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]piperidine-4-carboxylate
CID 8754721
Ethyl 1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]piperidin-1-ium-4-carboxylate
CID 8773025

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-1-ium-4-carboxylate?
The IUPAC name of ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-1-ium-4-carboxylate (CID 8931372) is ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-1-ium-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-1-ium-4-carboxylate?
The canonical SMILES for ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-1-ium-4-carboxylate is CCOC(=O)C1CC[NH+](CC(=O)N2CCNC2=O)CC1.
What is the InChIKey of ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-1-ium-4-carboxylate?
The InChIKey is XNWNZLJKNPKOTL-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H21N3O4/c1-2-20-12(18)10-3-6-15(7-4-10)9-11(17)16-8-5-14-13(16)19/h10H,2-9H2,1H3,(H,14,19)/p+1.
What are the key properties of ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-1-ium-4-carboxylate?
ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-1-ium-4-carboxylate has a molecular weight of 284.34 g/mol, XLogP of -1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-1-ium-4-carboxylate is sourced from PubChem (CID 8931372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).