[2-(ethylcarbamoylamino)-2-oxoethyl] cyclopentanecarboxylate

C11H18N2O4 — CID 7717570

IUPAC[2-(ethylcarbamoylamino)-2-oxoethyl] cyclopentanecarboxylate
SMILESCCNC(=O)NC(=O)COC(=O)C1CCCC1
InChIInChI=1S/C11H18N2O4/c1-2-12-11(16)13-9(14)7-17-10(15)8-5-3-4-6-8/h8H,2-7H2,1H3,(H2,12,13,14,16)
InChIKeyXDAHMFNQJYDMLR-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.57
Rot. Bonds4

About [2-(ethylcarbamoylamino)-2-oxoethyl] cyclopentanecarboxylate

[2-(ethylcarbamoylamino)-2-oxoethyl] cyclopentanecarboxylate (PubChem CID 7717570) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is [2-(ethylcarbamoylamino)-2-oxoethyl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[2-(ethylcarbamoylamino)-2-oxoethyl] cyclopentanecarboxylate
PubChem CID7717570
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name[2-(ethylcarbamoylamino)-2-oxoethyl] cyclopentanecarboxylate
SMILESCCNC(=O)NC(=O)COC(=O)C1CCCC1
InChIInChI=1S/C11H18N2O4/c1-2-12-11(16)13-9(14)7-17-10(15)8-5-3-4-6-8/h8H,2-7H2,1H3,(H2,12,13,14,16)
InChIKeyXDAHMFNQJYDMLR-UHFFFAOYSA-N
XLogP0.57
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(ethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7740040
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] cyclopentanecarboxylate
CID 7717562
ethyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 27152328
[2-oxo-2-(propylcarbamoylamino)ethyl] (1R,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 98249786
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 42971186
2-[cyclohexyl(methyl)amino]-N-(ethylcarbamoyl)acetamide
CID 46800805
2-[cycloheptyl(methyl)amino]-N-(ethylcarbamoyl)acetamide
CID 16577824
[2-(ethylcarbamoylamino)-2-oxoethyl] (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7871489
cyclooctyl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium
CID 9265109
N-(ethylcarbamoyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 8583077
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516
N-cyclopentyl-4-[2-(ethylcarbamoylamino)-2-oxoethoxy]benzamide
CID 51100623

Frequently Asked Questions

What is the IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] cyclopentanecarboxylate?
The IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] cyclopentanecarboxylate (CID 7717570) is [2-(ethylcarbamoylamino)-2-oxoethyl] cyclopentanecarboxylate.
What is the SMILES notation for [2-(ethylcarbamoylamino)-2-oxoethyl] cyclopentanecarboxylate?
The canonical SMILES for [2-(ethylcarbamoylamino)-2-oxoethyl] cyclopentanecarboxylate is CCNC(=O)NC(=O)COC(=O)C1CCCC1.
What is the InChIKey of [2-(ethylcarbamoylamino)-2-oxoethyl] cyclopentanecarboxylate?
The InChIKey is XDAHMFNQJYDMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-2-12-11(16)13-9(14)7-17-10(15)8-5-3-4-6-8/h8H,2-7H2,1H3,(H2,12,13,14,16).
What are the key properties of [2-(ethylcarbamoylamino)-2-oxoethyl] cyclopentanecarboxylate?
[2-(ethylcarbamoylamino)-2-oxoethyl] cyclopentanecarboxylate has a molecular weight of 242.27 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylcarbamoylamino)-2-oxoethyl] cyclopentanecarboxylate is sourced from PubChem (CID 7717570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).