tert-butyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate

C11H20N2O2 — CID 59776920

IUPACtert-butyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate
SMILESCC(C)(C)OC(=O)NC12CCNCC1C2
InChIInChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-11-4-5-12-7-8(11)6-11/h8,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyUVXQLUZASNYBCQ-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.26
Rot. Bonds1

About tert-butyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate

tert-butyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate (PubChem CID 59776920) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is tert-butyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate
PubChem CID59776920
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Nametert-butyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate
SMILESCC(C)(C)OC(=O)NC12CCNCC1C2
InChIInChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-11-4-5-12-7-8(11)6-11/h8,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyUVXQLUZASNYBCQ-UHFFFAOYSA-N
XLogP1.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]carbamate;oxalic acid
CID 67340995
tert-butyl N-(1-morpholin-2-ylcyclopropyl)carbamate
CID 175669668
tert-butyl N-[(3aS,6aR)-5-fluoro-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]carbamate
CID 69173106
tert-butyl N-(8-azaspiro[4.5]decan-10-yl)carbamate
CID 83680565
benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate;hydrochloride
CID 134819032
tert-butyl N-(2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl)carbamate
CID 77301632
(1S,3S,5R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.0]hexane-3-carboxylic acid
CID 131042947
tert-butyl N-[(3S)-3-(trifluoromethyl)pyrrolidin-3-yl]carbamate
CID 92825862
tert-butyl N-[(1R,3R,5S)-3-(hydroxymethyl)-1-bicyclo[3.1.0]hexanyl]carbamate
CID 10036692
methyl (1R,3S,5S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.0]hexane-3-carboxylate
CID 10106408
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
tert-butyl 2-[[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]amino]acetate
CID 68688778

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate?
The IUPAC name of tert-butyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate (CID 59776920) is tert-butyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate is CC(C)(C)OC(=O)NC12CCNCC1C2.
What is the InChIKey of tert-butyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate?
The InChIKey is UVXQLUZASNYBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-11-4-5-12-7-8(11)6-11/h8,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate?
tert-butyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate has a molecular weight of 212.29 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate is sourced from PubChem (CID 59776920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).