ethyl (3R)-1,5,5-trimethyl-2,4-dioxopiperidine-3-carboxylate

C11H17NO4 — CID 175903083

IUPACethyl (3R)-1,5,5-trimethyl-2,4-dioxopiperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1C(=O)N(C)CC(C)(C)C1=O
InChIInChI=1S/C11H17NO4/c1-5-16-10(15)7-8(13)11(2,3)6-12(4)9(7)14/h7H,5-6H2,1-4H3/t7-/m1/s1
InChIKeyOJSYPHJKKRTXAY-SSDOTTSWSA-N
MW227.26 g/mol
LogP0.23
Rot. Bonds2

About ethyl (3R)-1,5,5-trimethyl-2,4-dioxopiperidine-3-carboxylate

ethyl (3R)-1,5,5-trimethyl-2,4-dioxopiperidine-3-carboxylate (PubChem CID 175903083) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is ethyl (3R)-1,5,5-trimethyl-2,4-dioxopiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1,5,5-trimethyl-2,4-dioxopiperidine-3-carboxylate
PubChem CID175903083
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Nameethyl (3R)-1,5,5-trimethyl-2,4-dioxopiperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1C(=O)N(C)CC(C)(C)C1=O
InChIInChI=1S/C11H17NO4/c1-5-16-10(15)7-8(13)11(2,3)6-12(4)9(7)14/h7H,5-6H2,1-4H3/t7-/m1/s1
InChIKeyOJSYPHJKKRTXAY-SSDOTTSWSA-N
XLogP0.23
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.23
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

ethyl 2,4-dioxo-1-propylpyrrolidine-3-carboxylate
CID 14074904
ethyl 1-hydroxy-4-oxoazetidine-2-carboxylate
CID 71328527
ethyl 1-tert-butyl-2,4-dioxopiperidine-3-carboxylate
CID 154637444
ethyl 4,4-dimethyl-3-oxooxolane-2-carboxylate
CID 66867779
ethyl 5-fluoro-1,6-dimethyl-2,4-dioxopyridine-3-carboxylate
CID 91567875
ethyl 2,2-dimethyl-4-oxo-1-propan-2-ylazetidine-3-carboxylate
CID 11310404
ethyl 3-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanoate
CID 64835654
ethyl 4-ethyl-3-oxo-1-azabicyclo[2.2.2]octane-2-carboxylate
CID 165145411
ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
CID 11378554
ethyl 1-(2,2-dimethylpropyl)-2,4-dioxopiperidine-3-carboxylate
CID 154637383
ethyl 4-methyl-5,6-dioxopiperazine-2-carboxylate
CID 119053580
ethyl 2,2-dimethyl-5-oxocyclopentane-1-carboxylate
CID 67339971

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1,5,5-trimethyl-2,4-dioxopiperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1,5,5-trimethyl-2,4-dioxopiperidine-3-carboxylate (CID 175903083) is ethyl (3R)-1,5,5-trimethyl-2,4-dioxopiperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1,5,5-trimethyl-2,4-dioxopiperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1,5,5-trimethyl-2,4-dioxopiperidine-3-carboxylate is CCOC(=O)[C@H]1C(=O)N(C)CC(C)(C)C1=O.
What is the InChIKey of ethyl (3R)-1,5,5-trimethyl-2,4-dioxopiperidine-3-carboxylate?
The InChIKey is OJSYPHJKKRTXAY-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H17NO4/c1-5-16-10(15)7-8(13)11(2,3)6-12(4)9(7)14/h7H,5-6H2,1-4H3/t7-/m1/s1.
What are the key properties of ethyl (3R)-1,5,5-trimethyl-2,4-dioxopiperidine-3-carboxylate?
ethyl (3R)-1,5,5-trimethyl-2,4-dioxopiperidine-3-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 0.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1,5,5-trimethyl-2,4-dioxopiperidine-3-carboxylate is sourced from PubChem (CID 175903083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).