ethyl 2-[(6S)-2,6-dimethylpiperidin-1-yl]-2-oxoacetate

C11H19NO3 — CID 162413924

IUPACethyl 2-[(6S)-2,6-dimethylpiperidin-1-yl]-2-oxoacetate
SMILESCCOC(=O)C(=O)N1C(C)CCC[C@@H]1C
InChIInChI=1S/C11H19NO3/c1-4-15-11(14)10(13)12-8(2)6-5-7-9(12)3/h8-9H,4-7H2,1-3H3/t8-,9?/m0/s1
InChIKeyYXPMAWBCWXIFOT-IENPIDJESA-N
MW213.28 g/mol
LogP1.34
Rot. Bonds1

About ethyl 2-[(6S)-2,6-dimethylpiperidin-1-yl]-2-oxoacetate

ethyl 2-[(6S)-2,6-dimethylpiperidin-1-yl]-2-oxoacetate (PubChem CID 162413924) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl 2-[(6S)-2,6-dimethylpiperidin-1-yl]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[(6S)-2,6-dimethylpiperidin-1-yl]-2-oxoacetate
PubChem CID162413924
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl 2-[(6S)-2,6-dimethylpiperidin-1-yl]-2-oxoacetate
SMILESCCOC(=O)C(=O)N1C(C)CCC[C@@H]1C
InChIInChI=1S/C11H19NO3/c1-4-15-11(14)10(13)12-8(2)6-5-7-9(12)3/h8-9H,4-7H2,1-3H3/t8-,9?/m0/s1
InChIKeyYXPMAWBCWXIFOT-IENPIDJESA-N
XLogP1.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6S)-2,6-dimethylpiperidin-1-yl]-2-oxoacetate?
The IUPAC name of ethyl 2-[(6S)-2,6-dimethylpiperidin-1-yl]-2-oxoacetate (CID 162413924) is ethyl 2-[(6S)-2,6-dimethylpiperidin-1-yl]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[(6S)-2,6-dimethylpiperidin-1-yl]-2-oxoacetate?
The canonical SMILES for ethyl 2-[(6S)-2,6-dimethylpiperidin-1-yl]-2-oxoacetate is CCOC(=O)C(=O)N1C(C)CCC[C@@H]1C.
What is the InChIKey of ethyl 2-[(6S)-2,6-dimethylpiperidin-1-yl]-2-oxoacetate?
The InChIKey is YXPMAWBCWXIFOT-IENPIDJESA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-15-11(14)10(13)12-8(2)6-5-7-9(12)3/h8-9H,4-7H2,1-3H3/t8-,9?/m0/s1.
What are the key properties of ethyl 2-[(6S)-2,6-dimethylpiperidin-1-yl]-2-oxoacetate?
ethyl 2-[(6S)-2,6-dimethylpiperidin-1-yl]-2-oxoacetate has a molecular weight of 213.28 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6S)-2,6-dimethylpiperidin-1-yl]-2-oxoacetate is sourced from PubChem (CID 162413924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).