tert-butyl N-[(7S)-5-azaspiro[2.5]octan-7-yl]carbamate

C12H22N2O2 — CID 71206020

IUPACtert-butyl N-[(7S)-5-azaspiro[2.5]octan-7-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CNCC2(CC2)C1
InChIInChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-9-6-12(4-5-12)8-13-7-9/h9,13H,4-8H2,1-3H3,(H,14,15)/t9-/m0/s1
InChIKeyVZCOYYPWOPUQOT-VIFPVBQESA-N
MW226.32 g/mol
LogP1.65
Rot. Bonds1

About tert-butyl N-[(7S)-5-azaspiro[2.5]octan-7-yl]carbamate

tert-butyl N-[(7S)-5-azaspiro[2.5]octan-7-yl]carbamate (PubChem CID 71206020) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is tert-butyl N-[(7S)-5-azaspiro[2.5]octan-7-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(7S)-5-azaspiro[2.5]octan-7-yl]carbamate
PubChem CID71206020
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nametert-butyl N-[(7S)-5-azaspiro[2.5]octan-7-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CNCC2(CC2)C1
InChIInChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-9-6-12(4-5-12)8-13-7-9/h9,13H,4-8H2,1-3H3,(H,14,15)/t9-/m0/s1
InChIKeyVZCOYYPWOPUQOT-VIFPVBQESA-N
XLogP1.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(7S)-5-azaspiro[2.5]octan-7-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate;hydrochloride
CID 86767491
tert-butyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate
CID 97291627
bis(tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate);oxalic acid
CID 91663877
tert-butyl N-[(5S,7R)-2-azaspiro[4.5]decan-7-yl]carbamate
CID 97299724
tert-butyl N-spiro[3.3]heptan-2-ylcarbamate
CID 129317691
tert-butyl N-(6-aminospiro[3.3]heptan-2-yl)carbamate;hydrochloride
CID 146082168
tert-butyl N-[(3S)-4,4-dimethylpyrrolidin-3-yl]carbamate
CID 45092197
tert-butyl N-(2-oxospiro[3.3]heptan-6-yl)carbamate
CID 39872257
[(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamic acid
CID 141220052
tert-butyl N-[3-(azetidin-3-ylamino)cyclobutyl]carbamate
CID 107239124
tert-butyl N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate
CID 155893866
tert-butyl N-(2-aminospiro[3.5]nonan-7-yl)carbamate;hydrochloride
CID 155895653

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(7S)-5-azaspiro[2.5]octan-7-yl]carbamate?
The IUPAC name of tert-butyl N-[(7S)-5-azaspiro[2.5]octan-7-yl]carbamate (CID 71206020) is tert-butyl N-[(7S)-5-azaspiro[2.5]octan-7-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(7S)-5-azaspiro[2.5]octan-7-yl]carbamate?
The canonical SMILES for tert-butyl N-[(7S)-5-azaspiro[2.5]octan-7-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CNCC2(CC2)C1.
What is the InChIKey of tert-butyl N-[(7S)-5-azaspiro[2.5]octan-7-yl]carbamate?
The InChIKey is VZCOYYPWOPUQOT-VIFPVBQESA-N. The full InChI is InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-9-6-12(4-5-12)8-13-7-9/h9,13H,4-8H2,1-3H3,(H,14,15)/t9-/m0/s1.
What are the key properties of tert-butyl N-[(7S)-5-azaspiro[2.5]octan-7-yl]carbamate?
tert-butyl N-[(7S)-5-azaspiro[2.5]octan-7-yl]carbamate has a molecular weight of 226.32 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(7S)-5-azaspiro[2.5]octan-7-yl]carbamate is sourced from PubChem (CID 71206020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).