methyl (2S,4R)-1-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-2-carboxylate

C11H19NO5 — CID 133118263

IUPACmethyl (2S,4R)-1-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-2-carboxylate
SMILESCCOC(=O)CN1CC[C@@H](O)C[C@H]1C(=O)OC
InChIInChI=1S/C11H19NO5/c1-3-17-10(14)7-12-5-4-8(13)6-9(12)11(15)16-2/h8-9,13H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyXGLUWRSVGFGJBD-BDAKNGLRSA-N
MW245.27 g/mol
LogP-0.45
Rot. Bonds4

About methyl (2S,4R)-1-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-2-carboxylate

methyl (2S,4R)-1-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-2-carboxylate (PubChem CID 133118263) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is methyl (2S,4R)-1-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-1-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-2-carboxylate
PubChem CID133118263
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Namemethyl (2S,4R)-1-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-2-carboxylate
SMILESCCOC(=O)CN1CC[C@@H](O)C[C@H]1C(=O)OC
InChIInChI=1S/C11H19NO5/c1-3-17-10(14)7-12-5-4-8(13)6-9(12)11(15)16-2/h8-9,13H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyXGLUWRSVGFGJBD-BDAKNGLRSA-N
XLogP-0.45
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-1-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-2-carboxylate?
The IUPAC name of methyl (2S,4R)-1-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-2-carboxylate (CID 133118263) is methyl (2S,4R)-1-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4R)-1-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-2-carboxylate?
The canonical SMILES for methyl (2S,4R)-1-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-2-carboxylate is CCOC(=O)CN1CC[C@@H](O)C[C@H]1C(=O)OC.
What is the InChIKey of methyl (2S,4R)-1-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-2-carboxylate?
The InChIKey is XGLUWRSVGFGJBD-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H19NO5/c1-3-17-10(14)7-12-5-4-8(13)6-9(12)11(15)16-2/h8-9,13H,3-7H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of methyl (2S,4R)-1-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-2-carboxylate?
methyl (2S,4R)-1-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-2-carboxylate has a molecular weight of 245.27 g/mol, XLogP of -0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-1-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-2-carboxylate is sourced from PubChem (CID 133118263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).