(2R,5R)-1-[[2-[[2-[[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]diselanyl]phenyl]methyl]-2,5-bis(methoxymethyl)pyrrolidine

C30H44N2O4Se2 — CID 15398114

IUPAC(2R,5R)-1-[[2-[[2-[[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]diselanyl]phenyl]methyl]-2,5-bis(methoxymethyl)pyrrolidine
SMILESCOC[C@H]1CC[C@H](COC)N1Cc1ccccc1[Se][Se]c1ccccc1CN1[C@@H](COC)CC[C@@H]1COC
InChIInChI=1S/C30H44N2O4Se2/c1-33-19-25-13-14-26(20-34-2)31(25)17-23-9-5-7-11-29(23)37-38-30-12-8-6-10-24(30)18-32-27(21-35-3)15-16-28(32)22-36-4/h5-12,25-28H,13-22H2,1-4H3/t25-,26-,27-,28-/m1/s1
InChIKeyCBTQBHRKAIJBSJ-BIYDSLDMSA-N
MW654.61 g/mol
LogP2.21
Rot. Bonds15

About (2R,5R)-1-[[2-[[2-[[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]diselanyl]phenyl]methyl]-2,5-bis(methoxymethyl)pyrrolidine

(2R,5R)-1-[[2-[[2-[[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]diselanyl]phenyl]methyl]-2,5-bis(methoxymethyl)pyrrolidine (PubChem CID 15398114) has the molecular formula C30H44N2O4Se2 and a molecular weight of 654.61 g/mol. Its IUPAC name is (2R,5R)-1-[[2-[[2-[[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]diselanyl]phenyl]methyl]-2,5-bis(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2R,5R)-1-[[2-[[2-[[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]diselanyl]phenyl]methyl]-2,5-bis(methoxymethyl)pyrrolidine
PubChem CID15398114
Molecular FormulaC30H44N2O4Se2
Molecular Weight654.61 g/mol
Exact Mass656.16
IUPAC Name(2R,5R)-1-[[2-[[2-[[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]diselanyl]phenyl]methyl]-2,5-bis(methoxymethyl)pyrrolidine
SMILESCOC[C@H]1CC[C@H](COC)N1Cc1ccccc1[Se][Se]c1ccccc1CN1[C@@H](COC)CC[C@@H]1COC
InChIInChI=1S/C30H44N2O4Se2/c1-33-19-25-13-14-26(20-34-2)31(25)17-23-9-5-7-11-29(23)37-38-30-12-8-6-10-24(30)18-32-27(21-35-3)15-16-28(32)22-36-4/h5-12,25-28H,13-22H2,1-4H3/t25-,26-,27-,28-/m1/s1
InChIKeyCBTQBHRKAIJBSJ-BIYDSLDMSA-N
XLogP2.21
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500654.61
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (2R,5R)-1-[[2-[[2-[[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]diselanyl]phenyl]methyl]-2,5-bis(methoxymethyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]boronic acid
CID 11514830
[2-[[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]boronic acid
CID 11580170
(2S)-1-[[2-[(2E)-3,7-dimethylocta-2,6-dienyl]selanylphenyl]methyl]-2-(methoxymethyl)pyrrolidine
CID 11811857
[(3S,3aR,6S,6aR)-6-[benzyl(dimethyl)azaniumyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-benzyl-dimethylazanium
CID 101434309
(2R)-1-(1,3-diphenylprop-2-ynyl)-2-(methoxymethyl)pyrrolidine
CID 134945988
(1R,4S,5R,8S)-4,8-bis(dimethylbenzylammonium)-2,6-dioxabicyclo [3.3.0] octane iodide-water (1/1)
CID 139039134
(2S)-1-[[2-[(3S)-3,7-dimethylocta-1,6-dien-3-yl]oxyselanylphenyl]methyl]-2-(methoxymethyl)pyrrolidine
CID 139265173
4-Phenyl-3-[4-(4-phenyl-1,3-oxazolidin-3-yl)but-2-ynyl]-1,3-oxazolidine
CID 155934619
1-Benzyl-2-t-butyldimethylsilyloxymethyl-5-methoxymethylpyrrolidine
CID 19914920
(2S)-1-benzyl-2-(methoxymethyl)pyrrolidine
CID 59165761
(2S,5S)-1-benzyl-2,5-bis(methoxymethyl)pyrrolidine
CID 71698715
1-Benzyl-2-(methoxymethyl)pyrrolidine
CID 72235897

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1-[[2-[[2-[[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]diselanyl]phenyl]methyl]-2,5-bis(methoxymethyl)pyrrolidine?
The IUPAC name of (2R,5R)-1-[[2-[[2-[[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]diselanyl]phenyl]methyl]-2,5-bis(methoxymethyl)pyrrolidine (CID 15398114) is (2R,5R)-1-[[2-[[2-[[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]diselanyl]phenyl]methyl]-2,5-bis(methoxymethyl)pyrrolidine.
What is the SMILES notation for (2R,5R)-1-[[2-[[2-[[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]diselanyl]phenyl]methyl]-2,5-bis(methoxymethyl)pyrrolidine?
The canonical SMILES for (2R,5R)-1-[[2-[[2-[[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]diselanyl]phenyl]methyl]-2,5-bis(methoxymethyl)pyrrolidine is COC[C@H]1CC[C@H](COC)N1Cc1ccccc1[Se][Se]c1ccccc1CN1[C@@H](COC)CC[C@@H]1COC.
What is the InChIKey of (2R,5R)-1-[[2-[[2-[[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]diselanyl]phenyl]methyl]-2,5-bis(methoxymethyl)pyrrolidine?
The InChIKey is CBTQBHRKAIJBSJ-BIYDSLDMSA-N. The full InChI is InChI=1S/C30H44N2O4Se2/c1-33-19-25-13-14-26(20-34-2)31(25)17-23-9-5-7-11-29(23)37-38-30-12-8-6-10-24(30)18-32-27(21-35-3)15-16-28(32)22-36-4/h5-12,25-28H,13-22H2,1-4H3/t25-,26-,27-,28-/m1/s1.
What are the key properties of (2R,5R)-1-[[2-[[2-[[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]diselanyl]phenyl]methyl]-2,5-bis(methoxymethyl)pyrrolidine?
(2R,5R)-1-[[2-[[2-[[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]diselanyl]phenyl]methyl]-2,5-bis(methoxymethyl)pyrrolidine has a molecular weight of 654.61 g/mol, XLogP of 2.21, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1-[[2-[[2-[[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]diselanyl]phenyl]methyl]-2,5-bis(methoxymethyl)pyrrolidine is sourced from PubChem (CID 15398114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).