tert-butyl (2R)-2-[(5-bromo-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate

C15H21BrN2O3 — CID 15480236

IUPACtert-butyl (2R)-2-[(5-bromo-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1COc1cncc(Br)c1
InChIInChI=1S/C15H21BrN2O3/c1-15(2,3)21-14(19)18-6-4-5-12(18)10-20-13-7-11(16)8-17-9-13/h7-9,12H,4-6,10H2,1-3H3/t12-/m1/s1
InChIKeyBRXWTVYJDXBMCP-GFCCVEGCSA-N
MW357.25 g/mol
LogP3.62
Rot. Bonds3

About tert-butyl (2R)-2-[(5-bromo-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate

tert-butyl (2R)-2-[(5-bromo-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate (PubChem CID 15480236) has the molecular formula C15H21BrN2O3 and a molecular weight of 357.25 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(5-bromo-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(5-bromo-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
PubChem CID15480236
Molecular FormulaC15H21BrN2O3
Molecular Weight357.25 g/mol
Exact Mass356.07
IUPAC Nametert-butyl (2R)-2-[(5-bromo-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1COc1cncc(Br)c1
InChIInChI=1S/C15H21BrN2O3/c1-15(2,3)21-14(19)18-6-4-5-12(18)10-20-13-7-11(16)8-17-9-13/h7-9,12H,4-6,10H2,1-3H3/t12-/m1/s1
InChIKeyBRXWTVYJDXBMCP-GFCCVEGCSA-N
XLogP3.62
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[(5-bromo-6-chloro-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 18458747
tert-butyl (2S)-2-[[5-(3-fluoropropyl)-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylate
CID 68826364
tert-butyl (2R)-2-[[5-(5,5-dimethylhexa-1,3-dienyl)-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylate
CID 54009539
tert-butyl (2S)-2-[(5-trimethylstannyl-3-pyridinyl)oxymethyl]azetidine-1-carboxylate
CID 10574471
tert-butyl (2S)-2-[(5-chloro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate
CID 10780459
tert-butyl (2S)-2-[(6-chloro-5-methyl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 22961840
tert-butyl (2S)-2-[(5-thiophen-2-yl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 22961829
5-bromopyridin-3-ol;bis(tert-butyl (2S)-2-[(5-bromo-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate);tert-butyl (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(5-trimethylstannyl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate;ethyl N-methylidenecarbamate
CID 160781655
tert-butyl (2S)-2-[(5-bromo-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 97172833
tert-butyl (2R)-2-[(6-methyl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 54565827
tert-butyl (2S)-2-[[5-(2-oxoethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
CID 59371356
tert-butyl (2S)-2-[(5-ethynyl-3-pyridinyl)oxymethyl]azetidine-1-carboxylate
CID 56595566

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(5-bromo-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(5-bromo-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate (CID 15480236) is tert-butyl (2R)-2-[(5-bromo-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(5-bromo-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(5-bromo-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H]1COc1cncc(Br)c1.
What is the InChIKey of tert-butyl (2R)-2-[(5-bromo-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate?
The InChIKey is BRXWTVYJDXBMCP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21BrN2O3/c1-15(2,3)21-14(19)18-6-4-5-12(18)10-20-13-7-11(16)8-17-9-13/h7-9,12H,4-6,10H2,1-3H3/t12-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(5-bromo-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[(5-bromo-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate has a molecular weight of 357.25 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(5-bromo-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 15480236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).