(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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Related Compounds

CID 319258
CID 319258
CID 562947
CID 562947
CID 688177
CID 688177
CID 719760
CID 719760
CID 286120
CID 286120
CID 22278632
CID 22278632
CID 688176
CID 688176
CID 3975713
CID 3975713
CID 562951
CID 562951
CID 201371
CID 201371
CID 3056418
CID 3056418
CID 13814299
CID 13814299

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).