(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride

C7H16ClNO2 — CID 119057051

IUPAC(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride
SMILESCOC[C@@H]1C[C@H](OC)CN1.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-9-5-6-3-7(10-2)4-8-6;/h6-8H,3-5H2,1-2H3;1H/t6-,7-;/m0./s1
InChIKeyHNEUSESZADIYDX-LEUCUCNGSA-N
MW181.66 g/mol
LogP0.43
Rot. Bonds3

About (2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride

(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride (PubChem CID 119057051) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is (2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride
PubChem CID119057051
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Name(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride
SMILESCOC[C@@H]1C[C@H](OC)CN1.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-9-5-6-3-7(10-2)4-8-6;/h6-8H,3-5H2,1-2H3;1H/t6-,7-;/m0./s1
InChIKeyHNEUSESZADIYDX-LEUCUCNGSA-N
XLogP0.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride?
The IUPAC name of (2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride (CID 119057051) is (2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride.
What is the SMILES notation for (2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride?
The canonical SMILES for (2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride is COC[C@@H]1C[C@H](OC)CN1.Cl.
What is the InChIKey of (2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride?
The InChIKey is HNEUSESZADIYDX-LEUCUCNGSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-9-5-6-3-7(10-2)4-8-6;/h6-8H,3-5H2,1-2H3;1H/t6-,7-;/m0./s1.
What are the key properties of (2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride?
(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 119057051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).