tert-butyl N-(3-aminocyclopentyl)oxycarbamate

C10H20N2O3 — CID 105469849

IUPACtert-butyl N-(3-aminocyclopentyl)oxycarbamate
SMILESCC(C)(C)OC(=O)NOC1CCC(N)C1
InChIInChI=1S/C10H20N2O3/c1-10(2,3)14-9(13)12-15-8-5-4-7(11)6-8/h7-8H,4-6,11H2,1-3H3,(H,12,13)
InChIKeyPHSLMLLTNSXWBU-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.32
Rot. Bonds2

About tert-butyl N-(3-aminocyclopentyl)oxycarbamate

tert-butyl N-(3-aminocyclopentyl)oxycarbamate (PubChem CID 105469849) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl N-(3-aminocyclopentyl)oxycarbamate.

Molecular Properties

Compound Nametert-butyl N-(3-aminocyclopentyl)oxycarbamate
PubChem CID105469849
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl N-(3-aminocyclopentyl)oxycarbamate
SMILESCC(C)(C)OC(=O)NOC1CCC(N)C1
InChIInChI=1S/C10H20N2O3/c1-10(2,3)14-9(13)12-15-8-5-4-7(11)6-8/h7-8H,4-6,11H2,1-3H3,(H,12,13)
InChIKeyPHSLMLLTNSXWBU-UHFFFAOYSA-N
XLogP1.32
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride
CID 45156792
[(1R,3R)-3-aminocyclopentyl] methanesulfonate;[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] methanesulfonate
CID 160547885
tert-butyl N-[(1S,2S,4S)-4-amino-2-methylcyclohexyl]carbamate
CID 86650624
tert-butyl N-[(1R,2S,4S)-4-amino-2-fluorocyclohexyl]carbamate
CID 155904272
tert-butyl N-[(1S,2S,4S)-4-amino-2-fluorocyclohexyl]carbamate
CID 130850378
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl N-[(1R)-3-aminocyclohexyl]carbamate
CID 148734897
tert-butyl (3R)-3-aminocyclopentane-1-carboxylate
CID 121277242
cis-(1R,3S)-cyclopentane-1,3-diamine;4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 143194126
tert-butyl N-[7-[(4-aminocyclohexyl)amino]heptyl]carbamate
CID 177068003
tert-butyl N-[2-(4-aminocyclohexyl)propan-2-yl]carbamate
CID 118990032

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-aminocyclopentyl)oxycarbamate?
The IUPAC name of tert-butyl N-(3-aminocyclopentyl)oxycarbamate (CID 105469849) is tert-butyl N-(3-aminocyclopentyl)oxycarbamate.
What is the SMILES notation for tert-butyl N-(3-aminocyclopentyl)oxycarbamate?
The canonical SMILES for tert-butyl N-(3-aminocyclopentyl)oxycarbamate is CC(C)(C)OC(=O)NOC1CCC(N)C1.
What is the InChIKey of tert-butyl N-(3-aminocyclopentyl)oxycarbamate?
The InChIKey is PHSLMLLTNSXWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,3)14-9(13)12-15-8-5-4-7(11)6-8/h7-8H,4-6,11H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl N-(3-aminocyclopentyl)oxycarbamate?
tert-butyl N-(3-aminocyclopentyl)oxycarbamate has a molecular weight of 216.28 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-aminocyclopentyl)oxycarbamate is sourced from PubChem (CID 105469849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).