tert-butyl (5S)-5-ethyl-2,4-dioxopiperidine-1-carboxylate

C12H19NO4 — CID 86307698

IUPACtert-butyl (5S)-5-ethyl-2,4-dioxopiperidine-1-carboxylate
SMILESCC[C@H]1CN(C(=O)OC(C)(C)C)C(=O)CC1=O
InChIInChI=1S/C12H19NO4/c1-5-8-7-13(10(15)6-9(8)14)11(16)17-12(2,3)4/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyKNXSCLVWCAEWDH-QMMMGPOBSA-N
MW241.29 g/mol
LogP1.75
Rot. Bonds1

About tert-butyl (5S)-5-ethyl-2,4-dioxopiperidine-1-carboxylate

tert-butyl (5S)-5-ethyl-2,4-dioxopiperidine-1-carboxylate (PubChem CID 86307698) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is tert-butyl (5S)-5-ethyl-2,4-dioxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S)-5-ethyl-2,4-dioxopiperidine-1-carboxylate
PubChem CID86307698
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Nametert-butyl (5S)-5-ethyl-2,4-dioxopiperidine-1-carboxylate
SMILESCC[C@H]1CN(C(=O)OC(C)(C)C)C(=O)CC1=O
InChIInChI=1S/C12H19NO4/c1-5-8-7-13(10(15)6-9(8)14)11(16)17-12(2,3)4/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyKNXSCLVWCAEWDH-QMMMGPOBSA-N
XLogP1.75
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2,4-dioxo-5-(3,3,3-trifluoropropyl)piperidine-1-carboxylate
CID 25193507
tert-butyl 4-cyclopropyl-2-oxopyrrolidine-1-carboxylate
CID 170718438
tert-butyl 4-oxo-3-propylpiperidine-1-carboxylate
CID 57376569
tert-butyl 4-(1,2-dihydroxyethyl)-2-oxopyrrolidine-1-carboxylate
CID 74343675
tert-butyl 4-(nitromethyl)-2-oxopyrrolidine-1-carboxylate
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tert-butyl 4-(1,3-dioxolan-2-yl)-2-oxopyrrolidine-1-carboxylate
CID 166441567
tert-butyl 3-[(E)-but-2-enyl]-4-oxopiperidine-1-carboxylate
CID 114451401
tert-butyl (3S)-3-amino-2,3-dihydroindole-1-carboxylate;hydrochloride
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tert-butyl 2-oxo-5-propylazepane-1-carboxylate
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tert-butyl 4-methyl-2-oxo-3-prop-2-ynylimidazolidine-1-carboxylate
CID 19753272
tert-butyl 3-ethyl-4-hydroxy-6-oxo-5-(phenylcarbamothioyl)-2,3-dihydropyridine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (5S)-5-ethyl-2,4-dioxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl (5S)-5-ethyl-2,4-dioxopiperidine-1-carboxylate (CID 86307698) is tert-butyl (5S)-5-ethyl-2,4-dioxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (5S)-5-ethyl-2,4-dioxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (5S)-5-ethyl-2,4-dioxopiperidine-1-carboxylate is CC[C@H]1CN(C(=O)OC(C)(C)C)C(=O)CC1=O.
What is the InChIKey of tert-butyl (5S)-5-ethyl-2,4-dioxopiperidine-1-carboxylate?
The InChIKey is KNXSCLVWCAEWDH-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H19NO4/c1-5-8-7-13(10(15)6-9(8)14)11(16)17-12(2,3)4/h8H,5-7H2,1-4H3/t8-/m0/s1.
What are the key properties of tert-butyl (5S)-5-ethyl-2,4-dioxopiperidine-1-carboxylate?
tert-butyl (5S)-5-ethyl-2,4-dioxopiperidine-1-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5S)-5-ethyl-2,4-dioxopiperidine-1-carboxylate is sourced from PubChem (CID 86307698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).