methyl (2R,6R)-6-ethylmorpholine-2-carboxylate;hydrochloride

C8H16ClNO3 — CID 155291136

IUPACmethyl (2R,6R)-6-ethylmorpholine-2-carboxylate;hydrochloride
SMILESCC[C@@H]1CNC[C@H](C(=O)OC)O1.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-3-6-4-9-5-7(12-6)8(10)11-2;/h6-7,9H,3-5H2,1-2H3;1H/t6-,7-;/m1./s1
InChIKeyPBGSDQNICRIQCH-ZJLYAJKPSA-N
MW209.67 g/mol
LogP0.35
Rot. Bonds2

About methyl (2R,6R)-6-ethylmorpholine-2-carboxylate;hydrochloride

methyl (2R,6R)-6-ethylmorpholine-2-carboxylate;hydrochloride (PubChem CID 155291136) has the molecular formula C8H16ClNO3 and a molecular weight of 209.67 g/mol. Its IUPAC name is methyl (2R,6R)-6-ethylmorpholine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R,6R)-6-ethylmorpholine-2-carboxylate;hydrochloride
PubChem CID155291136
Molecular FormulaC8H16ClNO3
Molecular Weight209.67 g/mol
Exact Mass209.08
IUPAC Namemethyl (2R,6R)-6-ethylmorpholine-2-carboxylate;hydrochloride
SMILESCC[C@@H]1CNC[C@H](C(=O)OC)O1.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-3-6-4-9-5-7(12-6)8(10)11-2;/h6-7,9H,3-5H2,1-2H3;1H/t6-,7-;/m1./s1
InChIKeyPBGSDQNICRIQCH-ZJLYAJKPSA-N
XLogP0.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.67
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,6R)-6-ethylmorpholine-2-carboxylate;hydrochloride?
The IUPAC name of methyl (2R,6R)-6-ethylmorpholine-2-carboxylate;hydrochloride (CID 155291136) is methyl (2R,6R)-6-ethylmorpholine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl (2R,6R)-6-ethylmorpholine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl (2R,6R)-6-ethylmorpholine-2-carboxylate;hydrochloride is CC[C@@H]1CNC[C@H](C(=O)OC)O1.Cl.
What is the InChIKey of methyl (2R,6R)-6-ethylmorpholine-2-carboxylate;hydrochloride?
The InChIKey is PBGSDQNICRIQCH-ZJLYAJKPSA-N. The full InChI is InChI=1S/C8H15NO3.ClH/c1-3-6-4-9-5-7(12-6)8(10)11-2;/h6-7,9H,3-5H2,1-2H3;1H/t6-,7-;/m1./s1.
What are the key properties of methyl (2R,6R)-6-ethylmorpholine-2-carboxylate;hydrochloride?
methyl (2R,6R)-6-ethylmorpholine-2-carboxylate;hydrochloride has a molecular weight of 209.67 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,6R)-6-ethylmorpholine-2-carboxylate;hydrochloride is sourced from PubChem (CID 155291136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).