methyl (2R,3S)-2-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate

C11H19NO5 — CID 14939827

IUPACmethyl (2R,3S)-2-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate
SMILESCCOC(=O)C[C@@H]1[C@@H](O)CCCN1C(=O)OC
InChIInChI=1S/C11H19NO5/c1-3-17-10(14)7-8-9(13)5-4-6-12(8)11(15)16-2/h8-9,13H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyIUSOVKKWPNLNRG-BDAKNGLRSA-N
MW245.27 g/mol
LogP0.53
Rot. Bonds3

About methyl (2R,3S)-2-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate

methyl (2R,3S)-2-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate (PubChem CID 14939827) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is methyl (2R,3S)-2-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S)-2-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate
PubChem CID14939827
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Namemethyl (2R,3S)-2-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate
SMILESCCOC(=O)C[C@@H]1[C@@H](O)CCCN1C(=O)OC
InChIInChI=1S/C11H19NO5/c1-3-17-10(14)7-8-9(13)5-4-6-12(8)11(15)16-2/h8-9,13H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyIUSOVKKWPNLNRG-BDAKNGLRSA-N
XLogP0.53
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-2-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate?
The IUPAC name of methyl (2R,3S)-2-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate (CID 14939827) is methyl (2R,3S)-2-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for methyl (2R,3S)-2-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate?
The canonical SMILES for methyl (2R,3S)-2-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate is CCOC(=O)C[C@@H]1[C@@H](O)CCCN1C(=O)OC.
What is the InChIKey of methyl (2R,3S)-2-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate?
The InChIKey is IUSOVKKWPNLNRG-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H19NO5/c1-3-17-10(14)7-8-9(13)5-4-6-12(8)11(15)16-2/h8-9,13H,3-7H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of methyl (2R,3S)-2-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate?
methyl (2R,3S)-2-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate has a molecular weight of 245.27 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-2-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 14939827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).