diethyl (3S,4S)-6-oxopiperidine-3,4-dicarboxylate

C11H17NO5 — CID 101129718

IUPACdiethyl (3S,4S)-6-oxopiperidine-3,4-dicarboxylate
SMILESCCOC(=O)[C@H]1CC(=O)NC[C@H]1C(=O)OCC
InChIInChI=1S/C11H17NO5/c1-3-16-10(14)7-5-9(13)12-6-8(7)11(15)17-4-2/h7-8H,3-6H2,1-2H3,(H,12,13)/t7-,8+/m0/s1
InChIKeyUQEOQUSKESWWGY-JGVFFNPUSA-N
MW243.26 g/mol
LogP-0.14
Rot. Bonds4

About diethyl (3S,4S)-6-oxopiperidine-3,4-dicarboxylate

diethyl (3S,4S)-6-oxopiperidine-3,4-dicarboxylate (PubChem CID 101129718) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is diethyl (3S,4S)-6-oxopiperidine-3,4-dicarboxylate.

Molecular Properties

Compound Namediethyl (3S,4S)-6-oxopiperidine-3,4-dicarboxylate
PubChem CID101129718
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Namediethyl (3S,4S)-6-oxopiperidine-3,4-dicarboxylate
SMILESCCOC(=O)[C@H]1CC(=O)NC[C@H]1C(=O)OCC
InChIInChI=1S/C11H17NO5/c1-3-16-10(14)7-5-9(13)12-6-8(7)11(15)17-4-2/h7-8H,3-6H2,1-2H3,(H,12,13)/t7-,8+/m0/s1
InChIKeyUQEOQUSKESWWGY-JGVFFNPUSA-N
XLogP-0.14
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl (3R,4R)-6-oxopiperidine-3,4-dicarboxylate
CID 14201946
cis-diethyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate
CID 26967535
diethyl 5-oxopyrrolidine-2,3-dicarboxylate
CID 45272996
ethyl 4-hydroxy-5-oxopyrrolidine-3-carboxylate
CID 130007839
ethyl (2S,3R)-2-methyl-6-oxopiperidine-3-carboxylate
CID 125042037
ethyl 2-[(3S)-5-oxopyrrolidin-3-yl]acetate
CID 98007144
trans-diethyl (1S,2S)-4-propan-2-ylidenecyclopentane-1,2-dicarboxylate
CID 22215804
diethyl (1S,2S)-4-methylcyclohex-4-ene-1,2-dicarboxylate
CID 22215188
diethyl 4-oxocyclohexane-1,2-dicarboxylate
CID 14062941
diethyl 4-methylcyclohex-4-ene-1,2-dicarboxylate
CID 564350
(1R,6R)-6-ethoxycarbonyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 36691021
3-O-ethyl 4-O-methyl pyrrolidine-3,4-dicarboxylate
CID 141137561

Frequently Asked Questions

What is the IUPAC name of diethyl (3S,4S)-6-oxopiperidine-3,4-dicarboxylate?
The IUPAC name of diethyl (3S,4S)-6-oxopiperidine-3,4-dicarboxylate (CID 101129718) is diethyl (3S,4S)-6-oxopiperidine-3,4-dicarboxylate.
What is the SMILES notation for diethyl (3S,4S)-6-oxopiperidine-3,4-dicarboxylate?
The canonical SMILES for diethyl (3S,4S)-6-oxopiperidine-3,4-dicarboxylate is CCOC(=O)[C@H]1CC(=O)NC[C@H]1C(=O)OCC.
What is the InChIKey of diethyl (3S,4S)-6-oxopiperidine-3,4-dicarboxylate?
The InChIKey is UQEOQUSKESWWGY-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H17NO5/c1-3-16-10(14)7-5-9(13)12-6-8(7)11(15)17-4-2/h7-8H,3-6H2,1-2H3,(H,12,13)/t7-,8+/m0/s1.
What are the key properties of diethyl (3S,4S)-6-oxopiperidine-3,4-dicarboxylate?
diethyl (3S,4S)-6-oxopiperidine-3,4-dicarboxylate has a molecular weight of 243.26 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (3S,4S)-6-oxopiperidine-3,4-dicarboxylate is sourced from PubChem (CID 101129718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).