ethyl 2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoacetate

C11H19NO3 — CID 92983045

IUPACethyl 2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoacetate
SMILESCCOC(=O)C(=O)N1CCCC[C@@H]1CC
InChIInChI=1S/C11H19NO3/c1-3-9-7-5-6-8-12(9)10(13)11(14)15-4-2/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyWUIQESZNRNCSRM-VIFPVBQESA-N
MW213.28 g/mol
LogP1.34
Rot. Bonds2

About ethyl 2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoacetate

ethyl 2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoacetate (PubChem CID 92983045) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl 2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoacetate
PubChem CID92983045
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl 2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoacetate
SMILESCCOC(=O)C(=O)N1CCCC[C@@H]1CC
InChIInChI=1S/C11H19NO3/c1-3-9-7-5-6-8-12(9)10(13)11(14)15-4-2/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyWUIQESZNRNCSRM-VIFPVBQESA-N
XLogP1.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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-[(2S)-2-ethylpiperidin-1-yl]-2-oxoacetate?
The IUPAC name of ethyl 2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoacetate (CID 92983045) is ethyl 2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoacetate?
The canonical SMILES for ethyl 2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoacetate is CCOC(=O)C(=O)N1CCCC[C@@H]1CC.
What is the InChIKey of ethyl 2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoacetate?
The InChIKey is WUIQESZNRNCSRM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-9-7-5-6-8-12(9)10(13)11(14)15-4-2/h9H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of ethyl 2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoacetate?
ethyl 2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoacetate has a molecular weight of 213.28 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoacetate is sourced from PubChem (CID 92983045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).