ethyl (6R)-6-methyl-2-oxopiperidine-3-carboxylate

C9H15NO3 — CID 134968148

IUPACethyl (6R)-6-methyl-2-oxopiperidine-3-carboxylate
SMILESCCOC(=O)C1CC[C@@H](C)NC1=O
InChIInChI=1S/C9H15NO3/c1-3-13-9(12)7-5-4-6(2)10-8(7)11/h6-7H,3-5H2,1-2H3,(H,10,11)/t6-,7?/m1/s1
InChIKeyRNRSXLUVEWILOK-ULUSZKPHSA-N
MW185.22 g/mol
LogP0.46
Rot. Bonds2

About ethyl (6R)-6-methyl-2-oxopiperidine-3-carboxylate

ethyl (6R)-6-methyl-2-oxopiperidine-3-carboxylate (PubChem CID 134968148) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is ethyl (6R)-6-methyl-2-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (6R)-6-methyl-2-oxopiperidine-3-carboxylate
PubChem CID134968148
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameethyl (6R)-6-methyl-2-oxopiperidine-3-carboxylate
SMILESCCOC(=O)C1CC[C@@H](C)NC1=O
InChIInChI=1S/C9H15NO3/c1-3-13-9(12)7-5-4-6(2)10-8(7)11/h6-7H,3-5H2,1-2H3,(H,10,11)/t6-,7?/m1/s1
InChIKeyRNRSXLUVEWILOK-ULUSZKPHSA-N
XLogP0.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Carbethoxy-2-piperidone
CID 97773
Methyl 2-oxopiperidine-3-carboxylate
CID 3981101
3-Piperidinecarboxylic acid, 6,6-dimethyl-2,4-dioxo-, ethyl ester
CID 25193820
Ethyl 3-fluoro-2-oxopiperidine-3-carboxylate
CID 67402659
2-Oxo-6-(propan-2-yl)piperidine-3-carboxylic acid
CID 83636455
3-Piperidinecarboxylic acid, 2,6-dimethyl-, ethyl ester, (2R,3R,6S)-
CID 121553752
3-Piperidinecarboxylic acid, 3-ethyl-2-oxo-, ethyl ester
CID 10798054
methyl (6R)-6-methyl-2-oxopiperidine-3-carboxylate
CID 58332752
(3R,6S)-Methyl 6-methylpiperidine-3-carboxylate
CID 59277634
Methyl 6-methylpiperidine-3-carboxylate
CID 42628698
Ethyl 6-(trifluoromethyl)piperidine-3-carboxylate
CID 49761070
Ethyl (3S)-3-fluoro-2-oxo-3-piperidinecarboxylate
CID 67465671

Frequently Asked Questions

What is the IUPAC name of ethyl (6R)-6-methyl-2-oxopiperidine-3-carboxylate?
The IUPAC name of ethyl (6R)-6-methyl-2-oxopiperidine-3-carboxylate (CID 134968148) is ethyl (6R)-6-methyl-2-oxopiperidine-3-carboxylate.
What is the SMILES notation for ethyl (6R)-6-methyl-2-oxopiperidine-3-carboxylate?
The canonical SMILES for ethyl (6R)-6-methyl-2-oxopiperidine-3-carboxylate is CCOC(=O)C1CC[C@@H](C)NC1=O.
What is the InChIKey of ethyl (6R)-6-methyl-2-oxopiperidine-3-carboxylate?
The InChIKey is RNRSXLUVEWILOK-ULUSZKPHSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-13-9(12)7-5-4-6(2)10-8(7)11/h6-7H,3-5H2,1-2H3,(H,10,11)/t6-,7?/m1/s1.
What are the key properties of ethyl (6R)-6-methyl-2-oxopiperidine-3-carboxylate?
ethyl (6R)-6-methyl-2-oxopiperidine-3-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6R)-6-methyl-2-oxopiperidine-3-carboxylate is sourced from PubChem (CID 134968148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).