tert-butyl (2R)-2-[(1R)-1-[(4-bromo-3-pyridinyl)oxy]ethyl]azetidine-1-carboxylate

C15H21BrN2O3 — CID 170384826

IUPACtert-butyl (2R)-2-[(1R)-1-[(4-bromo-3-pyridinyl)oxy]ethyl]azetidine-1-carboxylate
SMILESC[C@@H](Oc1cnccc1Br)[C@H]1CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H21BrN2O3/c1-10(20-13-9-17-7-5-11(13)16)12-6-8-18(12)14(19)21-15(2,3)4/h5,7,9-10,12H,6,8H2,1-4H3/t10-,12-/m1/s1
InChIKeyBWCLKWDDSPFHHU-ZYHUDNBSSA-N
MW357.25 g/mol
LogP3.62
Rot. Bonds3

About tert-butyl (2R)-2-[(1R)-1-[(4-bromo-3-pyridinyl)oxy]ethyl]azetidine-1-carboxylate

tert-butyl (2R)-2-[(1R)-1-[(4-bromo-3-pyridinyl)oxy]ethyl]azetidine-1-carboxylate (PubChem CID 170384826) has the molecular formula C15H21BrN2O3 and a molecular weight of 357.25 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(1R)-1-[(4-bromo-3-pyridinyl)oxy]ethyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(1R)-1-[(4-bromo-3-pyridinyl)oxy]ethyl]azetidine-1-carboxylate
PubChem CID170384826
Molecular FormulaC15H21BrN2O3
Molecular Weight357.25 g/mol
Exact Mass356.07
IUPAC Nametert-butyl (2R)-2-[(1R)-1-[(4-bromo-3-pyridinyl)oxy]ethyl]azetidine-1-carboxylate
SMILESC[C@@H](Oc1cnccc1Br)[C@H]1CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H21BrN2O3/c1-10(20-13-9-17-7-5-11(13)16)12-6-8-18(12)14(19)21-15(2,3)4/h5,7,9-10,12H,6,8H2,1-4H3/t10-,12-/m1/s1
InChIKeyBWCLKWDDSPFHHU-ZYHUDNBSSA-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

Analyze tert-butyl (2R)-2-[(1R)-1-[(4-bromo-3-pyridinyl)oxy]ethyl]azetidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (2R)-2-[(1S)-1-(4-methoxy-3-pyridinyl)ethyl]azepane-1-carboxylate
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tert-butyl 4-(5-bromoisoquinolin-8-yl)oxypiperidine-1-carboxylate
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tert-butyl (2S)-2-(diphenoxymethyl)pyrrolidine-1-carboxylate
CID 67148408
tert-butyl 2-[[4-(3-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
CID 170762220
tert-butyl (2S)-2-[(1S)-1-[4-[(Z)-N'-hydroxycarbamimidoyl]pyrimidin-2-yl]oxyethyl]pyrrolidine-1-carboxylate
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tert-butyl (2R)-2-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxylate
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tert-butyl 2-(3-cyano-4-pyridinyl)piperidine-1-carboxylate
CID 115052446
tert-butyl (2S)-2-[(1S)-1-hydroxyethyl]piperidine-1-carboxylate
CID 94855628
tert-butyl 2-[(1R)-1-hydroxyethyl]piperidine-1-carboxylate
CID 130691829
tert-butyl 3-[(4-bromo-3-pyridinyl)carbamoyl]azetidine-1-carboxylate
CID 126508278
tert-butyl 5-bromo-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]imidazole-1-carboxylate
CID 58310114

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(1R)-1-[(4-bromo-3-pyridinyl)oxy]ethyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(1R)-1-[(4-bromo-3-pyridinyl)oxy]ethyl]azetidine-1-carboxylate (CID 170384826) is tert-butyl (2R)-2-[(1R)-1-[(4-bromo-3-pyridinyl)oxy]ethyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(1R)-1-[(4-bromo-3-pyridinyl)oxy]ethyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(1R)-1-[(4-bromo-3-pyridinyl)oxy]ethyl]azetidine-1-carboxylate is C[C@@H](Oc1cnccc1Br)[C@H]1CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[(1R)-1-[(4-bromo-3-pyridinyl)oxy]ethyl]azetidine-1-carboxylate?
The InChIKey is BWCLKWDDSPFHHU-ZYHUDNBSSA-N. The full InChI is InChI=1S/C15H21BrN2O3/c1-10(20-13-9-17-7-5-11(13)16)12-6-8-18(12)14(19)21-15(2,3)4/h5,7,9-10,12H,6,8H2,1-4H3/t10-,12-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(1R)-1-[(4-bromo-3-pyridinyl)oxy]ethyl]azetidine-1-carboxylate?
tert-butyl (2R)-2-[(1R)-1-[(4-bromo-3-pyridinyl)oxy]ethyl]azetidine-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-[(1R)-1-[(4-bromo-3-pyridinyl)oxy]ethyl]azetidine-1-carboxylate is sourced from PubChem (CID 170384826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).