(2S,5S)-2,5-bis(methoxymethyl)pyrrolidine

C8H17NO2 — CID 7019262

IUPAC(2S,5S)-2,5-bis(methoxymethyl)pyrrolidine
SMILESCOC[C@@H]1CC[C@@H](COC)N1
InChIInChI=1S/C8H17NO2/c1-10-5-7-3-4-8(9-7)6-11-2/h7-9H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyHDXYTIYVVNJFLU-YUMQZZPRSA-N
MW159.23 g/mol
LogP0.40
Rot. Bonds4

About (2S,5S)-2,5-bis(methoxymethyl)pyrrolidine

(2S,5S)-2,5-bis(methoxymethyl)pyrrolidine (PubChem CID 7019262) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (2S,5S)-2,5-bis(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S,5S)-2,5-bis(methoxymethyl)pyrrolidine
PubChem CID7019262
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(2S,5S)-2,5-bis(methoxymethyl)pyrrolidine
SMILESCOC[C@@H]1CC[C@@H](COC)N1
InChIInChI=1S/C8H17NO2/c1-10-5-7-3-4-8(9-7)6-11-2/h7-9H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyHDXYTIYVVNJFLU-YUMQZZPRSA-N
XLogP0.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2,5-bis(methoxymethyl)pyrrolidine?
The IUPAC name of (2S,5S)-2,5-bis(methoxymethyl)pyrrolidine (CID 7019262) is (2S,5S)-2,5-bis(methoxymethyl)pyrrolidine.
What is the SMILES notation for (2S,5S)-2,5-bis(methoxymethyl)pyrrolidine?
The canonical SMILES for (2S,5S)-2,5-bis(methoxymethyl)pyrrolidine is COC[C@@H]1CC[C@@H](COC)N1.
What is the InChIKey of (2S,5S)-2,5-bis(methoxymethyl)pyrrolidine?
The InChIKey is HDXYTIYVVNJFLU-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H17NO2/c1-10-5-7-3-4-8(9-7)6-11-2/h7-9H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (2S,5S)-2,5-bis(methoxymethyl)pyrrolidine?
(2S,5S)-2,5-bis(methoxymethyl)pyrrolidine has a molecular weight of 159.23 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2,5-bis(methoxymethyl)pyrrolidine is sourced from PubChem (CID 7019262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).