tert-butyl N-[[(1S,2R,5S,6S)-2-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate

C12H22N2O2 — CID 67789897

IUPACtert-butyl N-[[(1S,2R,5S,6S)-2-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate
SMILESC[C@H]1NC[C@H]2[C@H](CNC(=O)OC(C)(C)C)[C@H]21
InChIInChI=1S/C12H22N2O2/c1-7-10-8(5-13-7)9(10)6-14-11(15)16-12(2,3)4/h7-10,13H,5-6H2,1-4H3,(H,14,15)/t7-,8+,9+,10+/m1/s1
InChIKeyHCRLMVDDMSVPCP-KATARQTJSA-N
MW226.32 g/mol
LogP1.37
Rot. Bonds2

About tert-butyl N-[[(1S,2R,5S,6S)-2-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate

tert-butyl N-[[(1S,2R,5S,6S)-2-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate (PubChem CID 67789897) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is tert-butyl N-[[(1S,2R,5S,6S)-2-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(1S,2R,5S,6S)-2-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate
PubChem CID67789897
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nametert-butyl N-[[(1S,2R,5S,6S)-2-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate
SMILESC[C@H]1NC[C@H]2[C@H](CNC(=O)OC(C)(C)C)[C@H]21
InChIInChI=1S/C12H22N2O2/c1-7-10-8(5-13-7)9(10)6-14-11(15)16-12(2,3)4/h7-10,13H,5-6H2,1-4H3,(H,14,15)/t7-,8+,9+,10+/m1/s1
InChIKeyHCRLMVDDMSVPCP-KATARQTJSA-N
XLogP1.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[[(1S,2R,5S,6S)-2-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-(aziridin-2-ylmethyl)carbamate
CID 87499538
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tert-butyl N-[[(1S,4R,7S)-2-azabicyclo[2.2.1]heptan-7-yl]methyl]carbamate
CID 130901031
tert-butyl N-[(3-bromo-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate
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tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]carbamate
CID 130681607
tert-butyl N-[[(3S,5R)-5-methylpiperidin-3-yl]methyl]carbamate
CID 97007606
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[(4-cyclopentylpiperidin-3-yl)methyl]carbamate
CID 84812476
tert-butyl N-[[(3S)-2-oxoazetidin-3-yl]methyl]carbamate
CID 125489322
tert-butyl N-[[(1R,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]methyl]carbamate
CID 170897306
tert-butyl N-[[(2S)-morpholin-2-yl]methyl]carbamate
CID 42556133

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(1S,2R,5S,6S)-2-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(1S,2R,5S,6S)-2-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate (CID 67789897) is tert-butyl N-[[(1S,2R,5S,6S)-2-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(1S,2R,5S,6S)-2-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(1S,2R,5S,6S)-2-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate is C[C@H]1NC[C@H]2[C@H](CNC(=O)OC(C)(C)C)[C@H]21.
What is the InChIKey of tert-butyl N-[[(1S,2R,5S,6S)-2-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate?
The InChIKey is HCRLMVDDMSVPCP-KATARQTJSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-7-10-8(5-13-7)9(10)6-14-11(15)16-12(2,3)4/h7-10,13H,5-6H2,1-4H3,(H,14,15)/t7-,8+,9+,10+/m1/s1.
What are the key properties of tert-butyl N-[[(1S,2R,5S,6S)-2-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate?
tert-butyl N-[[(1S,2R,5S,6S)-2-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate has a molecular weight of 226.32 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(1S,2R,5S,6S)-2-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate is sourced from PubChem (CID 67789897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).