(2S,5S)-1-benzyl-2,5-bis(methoxymethyl)pyrrolidine

C15H23NO2 — CID 71698715

IUPAC(2S,5S)-1-benzyl-2,5-bis(methoxymethyl)pyrrolidine
SMILESCOC[C@@H]1CC[C@@H](COC)N1Cc1ccccc1
InChIInChI=1S/C15H23NO2/c1-17-11-14-8-9-15(12-18-2)16(14)10-13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3/t14-,15-/m0/s1
InChIKeyTUMUCLQZYWNKLJ-GJZGRUSLSA-N
MW249.35 g/mol
LogP2.31
Rot. Bonds6

About (2S,5S)-1-benzyl-2,5-bis(methoxymethyl)pyrrolidine

(2S,5S)-1-benzyl-2,5-bis(methoxymethyl)pyrrolidine (PubChem CID 71698715) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (2S,5S)-1-benzyl-2,5-bis(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S,5S)-1-benzyl-2,5-bis(methoxymethyl)pyrrolidine
PubChem CID71698715
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(2S,5S)-1-benzyl-2,5-bis(methoxymethyl)pyrrolidine
SMILESCOC[C@@H]1CC[C@@H](COC)N1Cc1ccccc1
InChIInChI=1S/C15H23NO2/c1-17-11-14-8-9-15(12-18-2)16(14)10-13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3/t14-,15-/m0/s1
InChIKeyTUMUCLQZYWNKLJ-GJZGRUSLSA-N
XLogP2.31
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-1-benzyl-2,5-bis(methoxymethyl)pyrrolidine?
The IUPAC name of (2S,5S)-1-benzyl-2,5-bis(methoxymethyl)pyrrolidine (CID 71698715) is (2S,5S)-1-benzyl-2,5-bis(methoxymethyl)pyrrolidine.
What is the SMILES notation for (2S,5S)-1-benzyl-2,5-bis(methoxymethyl)pyrrolidine?
The canonical SMILES for (2S,5S)-1-benzyl-2,5-bis(methoxymethyl)pyrrolidine is COC[C@@H]1CC[C@@H](COC)N1Cc1ccccc1.
What is the InChIKey of (2S,5S)-1-benzyl-2,5-bis(methoxymethyl)pyrrolidine?
The InChIKey is TUMUCLQZYWNKLJ-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H23NO2/c1-17-11-14-8-9-15(12-18-2)16(14)10-13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of (2S,5S)-1-benzyl-2,5-bis(methoxymethyl)pyrrolidine?
(2S,5S)-1-benzyl-2,5-bis(methoxymethyl)pyrrolidine has a molecular weight of 249.35 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-1-benzyl-2,5-bis(methoxymethyl)pyrrolidine is sourced from PubChem (CID 71698715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).