4-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid

C13H20N2O5 — CID 79216423

IUPAC4-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESCCOC(=O)CN(CC)C(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C13H20N2O5/c1-3-15(8-11(16)20-4-2)13(19)14-10-6-5-9(7-10)12(17)18/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyZHGSEFSKYZVBCH-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.61
Rot. Bonds6

About 4-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid

4-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79216423) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 4-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79216423
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name4-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESCCOC(=O)CN(CC)C(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C13H20N2O5/c1-3-15(8-11(16)20-4-2)13(19)14-10-6-5-9(7-10)12(17)18/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyZHGSEFSKYZVBCH-UHFFFAOYSA-N
XLogP0.61
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66033021
ethyl 2-[cyclopropylcarbamoyl(ethyl)amino]acetate
CID 62700813
4-[[methyl(pentan-3-yl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79216040
4-(ethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216361
2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 55002388
ethyl 2-[tert-butylcarbamoyl(ethyl)amino]acetate
CID 61012269
4-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 114829523
4-[(3-ethoxycyclobutyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 114120236
ethyl 2-[carbonochloridoyl(ethyl)amino]acetate
CID 168874340
1-[[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446641
3-cyclopropyl-3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid
CID 82002217
3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid
CID 115428627

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid (CID 79216423) is 4-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid is CCOC(=O)CN(CC)C(=O)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is ZHGSEFSKYZVBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-3-15(8-11(16)20-4-2)13(19)14-10-6-5-9(7-10)12(17)18/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 4-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
4-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 284.31 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79216423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).