tert-butyl N-[2-(3-azabicyclo[3.2.0]heptan-1-yl)ethyl]carbamate

C13H24N2O2 — CID 155821381

IUPACtert-butyl N-[2-(3-azabicyclo[3.2.0]heptan-1-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC12CCC1CNC2
InChIInChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-7-6-13-5-4-10(13)8-14-9-13/h10,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyMJCRRXNEGIXMFJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.90
Rot. Bonds3

About tert-butyl N-[2-(3-azabicyclo[3.2.0]heptan-1-yl)ethyl]carbamate

tert-butyl N-[2-(3-azabicyclo[3.2.0]heptan-1-yl)ethyl]carbamate (PubChem CID 155821381) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl N-[2-(3-azabicyclo[3.2.0]heptan-1-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3-azabicyclo[3.2.0]heptan-1-yl)ethyl]carbamate
PubChem CID155821381
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl N-[2-(3-azabicyclo[3.2.0]heptan-1-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC12CCC1CNC2
InChIInChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-7-6-13-5-4-10(13)8-14-9-13/h10,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyMJCRRXNEGIXMFJ-UHFFFAOYSA-N
XLogP1.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 166000123
tert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate
CID 107241432
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
tert-butyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate
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tert-butyl N-[[(3aR,6aS)-5-hydroxy-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methyl]carbamate
CID 138455617
6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 83679887
tert-butyl N-[2-(azetidin-3-ylamino)-2-methylpropyl]carbamate
CID 107249245
1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cyclopropane-1-carboxylic acid
CID 154533814
tert-butyl N-[2-(3,3-dimethylpiperidin-4-yl)ethyl]carbamate
CID 84805349
tert-butyl N-[2-(3-hydroxyoxolan-3-yl)ethyl]carbamate
CID 105489495
tert-butyl N-[[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]diaziridin-3-yl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-azabicyclo[3.2.0]heptan-1-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3-azabicyclo[3.2.0]heptan-1-yl)ethyl]carbamate (CID 155821381) is tert-butyl N-[2-(3-azabicyclo[3.2.0]heptan-1-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3-azabicyclo[3.2.0]heptan-1-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3-azabicyclo[3.2.0]heptan-1-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCC12CCC1CNC2.
What is the InChIKey of tert-butyl N-[2-(3-azabicyclo[3.2.0]heptan-1-yl)ethyl]carbamate?
The InChIKey is MJCRRXNEGIXMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-7-6-13-5-4-10(13)8-14-9-13/h10,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-[2-(3-azabicyclo[3.2.0]heptan-1-yl)ethyl]carbamate?
tert-butyl N-[2-(3-azabicyclo[3.2.0]heptan-1-yl)ethyl]carbamate has a molecular weight of 240.35 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3-azabicyclo[3.2.0]heptan-1-yl)ethyl]carbamate is sourced from PubChem (CID 155821381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).