tert-butyl N-[(2-bromocyclopentyl)methyl]carbamate

C11H20BrNO2 — CID 114313805

IUPACtert-butyl N-[(2-bromocyclopentyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1Br
InChIInChI=1S/C11H20BrNO2/c1-11(2,3)15-10(14)13-7-8-5-4-6-9(8)12/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyGILGLYXAEGTVGV-UHFFFAOYSA-N
MW278.19 g/mol
LogP3.07
Rot. Bonds2

About tert-butyl N-[(2-bromocyclopentyl)methyl]carbamate

tert-butyl N-[(2-bromocyclopentyl)methyl]carbamate (PubChem CID 114313805) has the molecular formula C11H20BrNO2 and a molecular weight of 278.19 g/mol. Its IUPAC name is tert-butyl N-[(2-bromocyclopentyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-bromocyclopentyl)methyl]carbamate
PubChem CID114313805
Molecular FormulaC11H20BrNO2
Molecular Weight278.19 g/mol
Exact Mass277.07
IUPAC Nametert-butyl N-[(2-bromocyclopentyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1Br
InChIInChI=1S/C11H20BrNO2/c1-11(2,3)15-10(14)13-7-8-5-4-6-9(8)12/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyGILGLYXAEGTVGV-UHFFFAOYSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[(3-bromocyclohexyl)methyl]carbamate
CID 104701959
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 107446348
tert-butyl N-[[2-[(2-methylcyclopropyl)methylamino]cyclopentyl]methyl]carbamate
CID 115970935
tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate
CID 107251493
tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 83112671
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate
CID 178194635
tert-butyl N-[[2-[(2-hydroxycyclohexyl)amino]cyclopentyl]methyl]carbamate
CID 103695769
tert-butyl N-[[(1R,2S)-2-acetylcyclopropyl]methyl]carbamate
CID 143403345
tert-butyl N-[[2-[(3-methylcyclobutyl)amino]cyclopentyl]methyl]carbamate
CID 115972861

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-bromocyclopentyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(2-bromocyclopentyl)methyl]carbamate (CID 114313805) is tert-butyl N-[(2-bromocyclopentyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2-bromocyclopentyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(2-bromocyclopentyl)methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCC1Br.
What is the InChIKey of tert-butyl N-[(2-bromocyclopentyl)methyl]carbamate?
The InChIKey is GILGLYXAEGTVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO2/c1-11(2,3)15-10(14)13-7-8-5-4-6-9(8)12/h8-9H,4-7H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-[(2-bromocyclopentyl)methyl]carbamate?
tert-butyl N-[(2-bromocyclopentyl)methyl]carbamate has a molecular weight of 278.19 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-bromocyclopentyl)methyl]carbamate is sourced from PubChem (CID 114313805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).