tert-butyl (2S)-2-(phenylselanylmethyl)pyrrolidine-1-carboxylate

C16H23NO2Se — CID 122386269

IUPACtert-butyl (2S)-2-(phenylselanylmethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C[Se]c1ccccc1
InChIInChI=1S/C16H23NO2Se/c1-16(2,3)19-15(18)17-11-7-8-13(17)12-20-14-9-5-4-6-10-14/h4-6,9-10,13H,7-8,11-12H2,1-3H3/t13-/m0/s1
InChIKeyUXXUWYYKVFEOST-ZDUSSCGKSA-N
MW340.32 g/mol
LogP2.83
Rot. Bonds3

About tert-butyl (2S)-2-(phenylselanylmethyl)pyrrolidine-1-carboxylate

tert-butyl (2S)-2-(phenylselanylmethyl)pyrrolidine-1-carboxylate (PubChem CID 122386269) has the molecular formula C16H23NO2Se and a molecular weight of 340.32 g/mol. Its IUPAC name is tert-butyl (2S)-2-(phenylselanylmethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(phenylselanylmethyl)pyrrolidine-1-carboxylate
PubChem CID122386269
Molecular FormulaC16H23NO2Se
Molecular Weight340.32 g/mol
Exact Mass341.09
IUPAC Nametert-butyl (2S)-2-(phenylselanylmethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C[Se]c1ccccc1
InChIInChI=1S/C16H23NO2Se/c1-16(2,3)19-15(18)17-11-7-8-13(17)12-20-14-9-5-4-6-10-14/h4-6,9-10,13H,7-8,11-12H2,1-3H3/t13-/m0/s1
InChIKeyUXXUWYYKVFEOST-ZDUSSCGKSA-N
XLogP2.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S,3R)-3-hydroxy-2-(phenylselanylmethyl)pyrrolidine-1-carboxylate
CID 11035659
tert-butyl 2-[(4-phenoxyphenoxy)methyl]pyrrolidine-1-carboxylate
CID 69003420
tert-butyl 2-(2-tritylsulfanylethyl)pyrrolidine-1-carboxylate
CID 164875537
tert-butyl (2S)-2-benzylpiperidine-1-carboxylate
CID 94006022
tert-butyl (2R)-2-benzylpiperidine-1-carboxylate
CID 67726841
3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
CID 10824137
tert-butyl (2S)-2-[(4-phenylmethoxyphenoxy)methyl]pyrrolidine-1-carboxylate
CID 68999596
tert-butyl 2-[[4-(4-phenylphenoxy)phenoxy]methyl]pyrrolidine-1-carboxylate
CID 69001108
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
tert-butyl 2-(phenylsulfanylmethyl)piperidine-1-carboxylate
CID 69343898
tert-butyl 2-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 13113449
tert-butyl (2R)-2-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 96581061

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(phenylselanylmethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(phenylselanylmethyl)pyrrolidine-1-carboxylate (CID 122386269) is tert-butyl (2S)-2-(phenylselanylmethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(phenylselanylmethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(phenylselanylmethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H]1C[Se]c1ccccc1.
What is the InChIKey of tert-butyl (2S)-2-(phenylselanylmethyl)pyrrolidine-1-carboxylate?
The InChIKey is UXXUWYYKVFEOST-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23NO2Se/c1-16(2,3)19-15(18)17-11-7-8-13(17)12-20-14-9-5-4-6-10-14/h4-6,9-10,13H,7-8,11-12H2,1-3H3/t13-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(phenylselanylmethyl)pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-(phenylselanylmethyl)pyrrolidine-1-carboxylate has a molecular weight of 340.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(phenylselanylmethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 122386269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).