tert-butyl N-[2-(azidomethyl)cyclopentyl]carbamate

C11H20N4O2 — CID 171158733

IUPACtert-butyl N-[2-(azidomethyl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC1CN=[N+]=[N-]
InChIInChI=1S/C11H20N4O2/c1-11(2,3)17-10(16)14-9-6-4-5-8(9)7-13-15-12/h8-9H,4-7H2,1-3H3,(H,14,16)
InChIKeyJILQIELFYMAFFC-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.99
Rot. Bonds3

About tert-butyl N-[2-(azidomethyl)cyclopentyl]carbamate

tert-butyl N-[2-(azidomethyl)cyclopentyl]carbamate (PubChem CID 171158733) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is tert-butyl N-[2-(azidomethyl)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(azidomethyl)cyclopentyl]carbamate
PubChem CID171158733
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Nametert-butyl N-[2-(azidomethyl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC1CN=[N+]=[N-]
InChIInChI=1S/C11H20N4O2/c1-11(2,3)17-10(16)14-9-6-4-5-8(9)7-13-15-12/h8-9H,4-7H2,1-3H3,(H,14,16)
InChIKeyJILQIELFYMAFFC-UHFFFAOYSA-N
XLogP2.99
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(4R,5R)-4,5-bis(azidomethyl)-2-hydroxycyclohexyl]carbamate
CID 25215650
tert-butyl N-(2-ethylcyclopentyl)carbamate
CID 131075497
2-[(1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]acetic acid
CID 34176591
3-[(1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]propanoic acid
CID 178190162
tert-butyl N-[(1R,2S)-2-[2-(methylamino)ethyl]cyclopentyl]carbamate
CID 178190157
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate
CID 68804451
tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate
CID 17040218
tert-butyl N-[2-(2-oxobut-3-ynyl)cyclopentyl]carbamate
CID 165471003
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl N-[2-[(2-ethylcyclohexyl)amino]cyclopentyl]carbamate
CID 107243819

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(azidomethyl)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[2-(azidomethyl)cyclopentyl]carbamate (CID 171158733) is tert-butyl N-[2-(azidomethyl)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(azidomethyl)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(azidomethyl)cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CCCC1CN=[N+]=[N-].
What is the InChIKey of tert-butyl N-[2-(azidomethyl)cyclopentyl]carbamate?
The InChIKey is JILQIELFYMAFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-11(2,3)17-10(16)14-9-6-4-5-8(9)7-13-15-12/h8-9H,4-7H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl N-[2-(azidomethyl)cyclopentyl]carbamate?
tert-butyl N-[2-(azidomethyl)cyclopentyl]carbamate has a molecular weight of 240.31 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(azidomethyl)cyclopentyl]carbamate is sourced from PubChem (CID 171158733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).