ethyl (2R,6R)-6-methyl-4-oxopiperidine-2-carboxylate

C9H15NO3 — CID 11816280

IUPACethyl (2R,6R)-6-methyl-4-oxopiperidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CC(=O)C[C@@H](C)N1
InChIInChI=1S/C9H15NO3/c1-3-13-9(12)8-5-7(11)4-6(2)10-8/h6,8,10H,3-5H2,1-2H3/t6-,8-/m1/s1
InChIKeyOMAAJKNXDPULPV-HTRCEHHLSA-N
MW185.22 g/mol
LogP0.26
Rot. Bonds2

About ethyl (2R,6R)-6-methyl-4-oxopiperidine-2-carboxylate

ethyl (2R,6R)-6-methyl-4-oxopiperidine-2-carboxylate (PubChem CID 11816280) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is ethyl (2R,6R)-6-methyl-4-oxopiperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,6R)-6-methyl-4-oxopiperidine-2-carboxylate
PubChem CID11816280
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameethyl (2R,6R)-6-methyl-4-oxopiperidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CC(=O)C[C@@H](C)N1
InChIInChI=1S/C9H15NO3/c1-3-13-9(12)8-5-7(11)4-6(2)10-8/h6,8,10H,3-5H2,1-2H3/t6-,8-/m1/s1
InChIKeyOMAAJKNXDPULPV-HTRCEHHLSA-N
XLogP0.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-diethyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate
CID 26967535
diethyl pyrrolidine-2,5-dicarboxylate
CID 13228037
ethyl (2S)-5-aminopyrrolidine-2-carboxylate
CID 118106276
ethyl 5-oxo-2,3,3a,4,6,6a-hexahydro-1H-pentalene-2-carboxylate
CID 73030532
ethyl (2S)-5-oxopyrrolidine-2-carboxylate;methyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 159600459
ethyl (1R)-2-ethyl-4-oxocyclopentane-1-carboxylate
CID 166968043
ethyl 4-methylpyrrolidine-2-carboxylate;hydrochloride
CID 42614258
cis-ethyl (1S,2R)-2-methyl-5-oxocyclopentane-1-carboxylate
CID 15253094
ethyl (2R)-2-ethyl-4-oxocyclopentane-1-carboxylate
CID 163993151
(2S,5S)-5-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 54457263
diethyl (2S,3R,5S,6S)-2,6-dimethyl-4-oxopiperidine-3,5-dicarboxylate
CID 124603795
ethyl 2-ethyl-6-methylpiperidine-4-carboxylate
CID 70314119

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,6R)-6-methyl-4-oxopiperidine-2-carboxylate?
The IUPAC name of ethyl (2R,6R)-6-methyl-4-oxopiperidine-2-carboxylate (CID 11816280) is ethyl (2R,6R)-6-methyl-4-oxopiperidine-2-carboxylate.
What is the SMILES notation for ethyl (2R,6R)-6-methyl-4-oxopiperidine-2-carboxylate?
The canonical SMILES for ethyl (2R,6R)-6-methyl-4-oxopiperidine-2-carboxylate is CCOC(=O)[C@H]1CC(=O)C[C@@H](C)N1.
What is the InChIKey of ethyl (2R,6R)-6-methyl-4-oxopiperidine-2-carboxylate?
The InChIKey is OMAAJKNXDPULPV-HTRCEHHLSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-13-9(12)8-5-7(11)4-6(2)10-8/h6,8,10H,3-5H2,1-2H3/t6-,8-/m1/s1.
What are the key properties of ethyl (2R,6R)-6-methyl-4-oxopiperidine-2-carboxylate?
ethyl (2R,6R)-6-methyl-4-oxopiperidine-2-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,6R)-6-methyl-4-oxopiperidine-2-carboxylate is sourced from PubChem (CID 11816280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).