tert-butyl N-[(1R,3R)-3-[(6-bromo-3-pyridinyl)oxy]cyclopentyl]carbamate

C15H21BrN2O3 — CID 169188311

IUPACtert-butyl N-[(1R,3R)-3-[(6-bromo-3-pyridinyl)oxy]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@@H](Oc2ccc(Br)nc2)C1
InChIInChI=1S/C15H21BrN2O3/c1-15(2,3)21-14(19)18-10-4-5-11(8-10)20-12-6-7-13(16)17-9-12/h6-7,9-11H,4-5,8H2,1-3H3,(H,18,19)/t10-,11-/m1/s1
InChIKeyKLMCZZRAYDOEMS-GHMZBOCLSA-N
MW357.25 g/mol
LogP3.67
Rot. Bonds3

About tert-butyl N-[(1R,3R)-3-[(6-bromo-3-pyridinyl)oxy]cyclopentyl]carbamate

tert-butyl N-[(1R,3R)-3-[(6-bromo-3-pyridinyl)oxy]cyclopentyl]carbamate (PubChem CID 169188311) has the molecular formula C15H21BrN2O3 and a molecular weight of 357.25 g/mol. Its IUPAC name is tert-butyl N-[(1R,3R)-3-[(6-bromo-3-pyridinyl)oxy]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,3R)-3-[(6-bromo-3-pyridinyl)oxy]cyclopentyl]carbamate
PubChem CID169188311
Molecular FormulaC15H21BrN2O3
Molecular Weight357.25 g/mol
Exact Mass356.07
IUPAC Nametert-butyl N-[(1R,3R)-3-[(6-bromo-3-pyridinyl)oxy]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@@H](Oc2ccc(Br)nc2)C1
InChIInChI=1S/C15H21BrN2O3/c1-15(2,3)21-14(19)18-10-4-5-11(8-10)20-12-6-7-13(16)17-9-12/h6-7,9-11H,4-5,8H2,1-3H3,(H,18,19)/t10-,11-/m1/s1
InChIKeyKLMCZZRAYDOEMS-GHMZBOCLSA-N
XLogP3.67
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[(6-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate
CID 119087105
tert-butyl N-[4-(4-formylphenoxy)cyclohexyl]carbamate
CID 164574099
tert-butyl N-[(1S,3R)-3-[(2-bromo-6-propyl-3-pyridinyl)oxy]cyclopentyl]carbamate
CID 166147913
tert-butyl N-[(3S)-3-[(6-bromo-1,2,4-triazin-3-yl)amino]cyclopentyl]carbamate
CID 171746136
tert-butyl N-[3-[4-[2-[4-[(2-bromo-4-pyridinyl)oxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamate
CID 167437109
tert-butyl N-[(1S,3R)-3-[(3-acetyl-2-methoxy-4-pyridinyl)oxy]cyclopentyl]carbamate
CID 170602428
[3-[4-[2-[4-[(6-bromo-3-pyridinyl)oxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid
CID 174238808
tert-butyl N-[3-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclobutyl]carbamate
CID 165144141
tert-butyl N-[(1R,3R)-3-[[6-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]oxy]cyclopentyl]carbamate
CID 175951418
tert-butyl N-[(1R,3R)-3-(2-bromo-5-chloro-3-fluorophenoxy)cyclopentyl]carbamate
CID 170071286
tert-butyl N-[4-(2,6-dibromoanilino)cyclohexyl]carbamate
CID 107597180
[(1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate
CID 141204267

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,3R)-3-[(6-bromo-3-pyridinyl)oxy]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,3R)-3-[(6-bromo-3-pyridinyl)oxy]cyclopentyl]carbamate (CID 169188311) is tert-butyl N-[(1R,3R)-3-[(6-bromo-3-pyridinyl)oxy]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,3R)-3-[(6-bromo-3-pyridinyl)oxy]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,3R)-3-[(6-bromo-3-pyridinyl)oxy]cyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](Oc2ccc(Br)nc2)C1.
What is the InChIKey of tert-butyl N-[(1R,3R)-3-[(6-bromo-3-pyridinyl)oxy]cyclopentyl]carbamate?
The InChIKey is KLMCZZRAYDOEMS-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H21BrN2O3/c1-15(2,3)21-14(19)18-10-4-5-11(8-10)20-12-6-7-13(16)17-9-12/h6-7,9-11H,4-5,8H2,1-3H3,(H,18,19)/t10-,11-/m1/s1.
What are the key properties of tert-butyl N-[(1R,3R)-3-[(6-bromo-3-pyridinyl)oxy]cyclopentyl]carbamate?
tert-butyl N-[(1R,3R)-3-[(6-bromo-3-pyridinyl)oxy]cyclopentyl]carbamate has a molecular weight of 357.25 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,3R)-3-[(6-bromo-3-pyridinyl)oxy]cyclopentyl]carbamate is sourced from PubChem (CID 169188311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).