tert-butyl N-[(3R,4R)-6-azaspiro[3.4]octan-3-yl]carbamate

C12H22N2O2 — CID 97294998

IUPACtert-butyl N-[(3R,4R)-6-azaspiro[3.4]octan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@]12CCNC2
InChIInChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-9-4-5-12(9)6-7-13-8-12/h9,13H,4-8H2,1-3H3,(H,14,15)/t9-,12-/m1/s1
InChIKeyWRSIZFQACIWVCA-BXKDBHETSA-N
MW226.32 g/mol
LogP1.65
Rot. Bonds1

About tert-butyl N-[(3R,4R)-6-azaspiro[3.4]octan-3-yl]carbamate

tert-butyl N-[(3R,4R)-6-azaspiro[3.4]octan-3-yl]carbamate (PubChem CID 97294998) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is tert-butyl N-[(3R,4R)-6-azaspiro[3.4]octan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,4R)-6-azaspiro[3.4]octan-3-yl]carbamate
PubChem CID97294998
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nametert-butyl N-[(3R,4R)-6-azaspiro[3.4]octan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@]12CCNC2
InChIInChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-9-4-5-12(9)6-7-13-8-12/h9,13H,4-8H2,1-3H3,(H,14,15)/t9-,12-/m1/s1
InChIKeyWRSIZFQACIWVCA-BXKDBHETSA-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

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Related Compounds

tert-butyl N-(6-azaspiro[3.5]nonan-9-yl)carbamate;hydrochloride
CID 138040815
tert-butyl N-(8-azaspiro[4.5]decan-4-yl)carbamate
CID 127264221
tert-butyl N-(8-azaspiro[4.5]decan-10-yl)carbamate
CID 83680565
tert-butyl N-[(4R)-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate
CID 155904737
tert-butyl N-[(4R)-3,3-dimethylpiperidin-4-yl]carbamate
CID 92980395
tert-butyl N-[(3S)-4,4-dimethylpyrrolidin-3-yl]carbamate
CID 45092197
tert-butyl N-[(5S,7R)-2-azaspiro[4.5]decan-7-yl]carbamate
CID 97299724
tert-butyl N-[(3S)-4,4-difluoropyrrolidin-3-yl]carbamate
CID 124523315
tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate
CID 98042480
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
tert-butyl N-spiro[2.5]octan-2-ylcarbamate
CID 86276839
tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118178604

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4R)-6-azaspiro[3.4]octan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,4R)-6-azaspiro[3.4]octan-3-yl]carbamate (CID 97294998) is tert-butyl N-[(3R,4R)-6-azaspiro[3.4]octan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,4R)-6-azaspiro[3.4]octan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,4R)-6-azaspiro[3.4]octan-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CC[C@]12CCNC2.
What is the InChIKey of tert-butyl N-[(3R,4R)-6-azaspiro[3.4]octan-3-yl]carbamate?
The InChIKey is WRSIZFQACIWVCA-BXKDBHETSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-9-4-5-12(9)6-7-13-8-12/h9,13H,4-8H2,1-3H3,(H,14,15)/t9-,12-/m1/s1.
What are the key properties of tert-butyl N-[(3R,4R)-6-azaspiro[3.4]octan-3-yl]carbamate?
tert-butyl N-[(3R,4R)-6-azaspiro[3.4]octan-3-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-[(3R,4R)-6-azaspiro[3.4]octan-3-yl]carbamate is sourced from PubChem (CID 97294998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).