diethyl 2-ethyl-2-[(2E)-2-hydroxyiminocyclopentyl]propanedioate

C14H23NO5 — CID 146163984

IUPACdiethyl 2-ethyl-2-[(2E)-2-hydroxyiminocyclopentyl]propanedioate
SMILESCCOC(=O)C(CC)(C(=O)OCC)C1CCC/C1=N\O
InChIInChI=1S/C14H23NO5/c1-4-14(12(16)19-5-2,13(17)20-6-3)10-8-7-9-11(10)15-18/h10,18H,4-9H2,1-3H3/b15-11+
InChIKeyUPCJUPAMTMWFGK-RVDMUPIBSA-N
MW285.34 g/mol
LogP2.14
Rot. Bonds6

About diethyl 2-ethyl-2-[(2E)-2-hydroxyiminocyclopentyl]propanedioate

diethyl 2-ethyl-2-[(2E)-2-hydroxyiminocyclopentyl]propanedioate (PubChem CID 146163984) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is diethyl 2-ethyl-2-[(2E)-2-hydroxyiminocyclopentyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-ethyl-2-[(2E)-2-hydroxyiminocyclopentyl]propanedioate
PubChem CID146163984
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Namediethyl 2-ethyl-2-[(2E)-2-hydroxyiminocyclopentyl]propanedioate
SMILESCCOC(=O)C(CC)(C(=O)OCC)C1CCC/C1=N\O
InChIInChI=1S/C14H23NO5/c1-4-14(12(16)19-5-2,13(17)20-6-3)10-8-7-9-11(10)15-18/h10,18H,4-9H2,1-3H3/b15-11+
InChIKeyUPCJUPAMTMWFGK-RVDMUPIBSA-N
XLogP2.14
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Diethyl 4-(hydroxyimino)cyclohexane-1,1-dicarboxylate
CID 2802957
Diethyl (2-(hydroxyimino)cyclooctyl)malonate
CID 9602637
dimethyl 2-[(2E)-2-hydroxyiminocyclohexyl]propanedioate
CID 12969473
ethyl 2-[(2E)-2-hydroxyiminocyclohexyl]-3-oxobutanoate
CID 46201648
diethyl (6E)-6-hydroxyiminobicyclo[2.2.2]octane-2,2-dicarboxylate
CID 146163281
diethyl (6E)-6-hydroxyiminobicyclo[2.2.1]heptane-2,2-dicarboxylate
CID 146163571
diethyl (4E)-4-hydroxyiminobicyclo[3.2.1]octane-6,6-dicarboxylate
CID 146163704
diethyl 2-[(2E)-2-hydroxyiminocyclohexyl]-2-methylpropanedioate
CID 146163706
diethyl 2-[(2E)-2-hydroxyiminocyclopentyl]propanedioate
CID 146163911
diethyl (9E)-9-hydroxyiminobicyclo[3.2.2]nonane-6,6-dicarboxylate
CID 146163982
Diethyl (2-(hydroxyimino)cyclododecyl)malonate
CID 9603681
methyl 3-(cyclopentylmethyl)-5-oxo-4H-1,2-oxazole-4-carboxylate
CID 58226086

Frequently Asked Questions

What is the IUPAC name of diethyl 2-ethyl-2-[(2E)-2-hydroxyiminocyclopentyl]propanedioate?
The IUPAC name of diethyl 2-ethyl-2-[(2E)-2-hydroxyiminocyclopentyl]propanedioate (CID 146163984) is diethyl 2-ethyl-2-[(2E)-2-hydroxyiminocyclopentyl]propanedioate.
What is the SMILES notation for diethyl 2-ethyl-2-[(2E)-2-hydroxyiminocyclopentyl]propanedioate?
The canonical SMILES for diethyl 2-ethyl-2-[(2E)-2-hydroxyiminocyclopentyl]propanedioate is CCOC(=O)C(CC)(C(=O)OCC)C1CCC/C1=N\O.
What is the InChIKey of diethyl 2-ethyl-2-[(2E)-2-hydroxyiminocyclopentyl]propanedioate?
The InChIKey is UPCJUPAMTMWFGK-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H23NO5/c1-4-14(12(16)19-5-2,13(17)20-6-3)10-8-7-9-11(10)15-18/h10,18H,4-9H2,1-3H3/b15-11+.
What are the key properties of diethyl 2-ethyl-2-[(2E)-2-hydroxyiminocyclopentyl]propanedioate?
diethyl 2-ethyl-2-[(2E)-2-hydroxyiminocyclopentyl]propanedioate has a molecular weight of 285.34 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-ethyl-2-[(2E)-2-hydroxyiminocyclopentyl]propanedioate is sourced from PubChem (CID 146163984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).