[1-[(7S)-5-azaspiro[2.4]heptan-7-yl]-2-methylpropan-2-yl] carbamate

C11H20N2O2 — CID 137366133

IUPAC[1-[(7S)-5-azaspiro[2.4]heptan-7-yl]-2-methylpropan-2-yl] carbamate
SMILESCC(C)(C[C@@H]1CNCC12CC2)OC(N)=O
InChIInChI=1S/C11H20N2O2/c1-10(2,15-9(12)14)5-8-6-13-7-11(8)3-4-11/h8,13H,3-7H2,1-2H3,(H2,12,14)/t8-/m1/s1
InChIKeyLXQLZONZNJBSER-MRVPVSSYSA-N
MW212.29 g/mol
LogP1.25
Rot. Bonds3

About [1-[(7S)-5-azaspiro[2.4]heptan-7-yl]-2-methylpropan-2-yl] carbamate

[1-[(7S)-5-azaspiro[2.4]heptan-7-yl]-2-methylpropan-2-yl] carbamate (PubChem CID 137366133) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is [1-[(7S)-5-azaspiro[2.4]heptan-7-yl]-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[(7S)-5-azaspiro[2.4]heptan-7-yl]-2-methylpropan-2-yl] carbamate
PubChem CID137366133
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name[1-[(7S)-5-azaspiro[2.4]heptan-7-yl]-2-methylpropan-2-yl] carbamate
SMILESCC(C)(C[C@@H]1CNCC12CC2)OC(N)=O
InChIInChI=1S/C11H20N2O2/c1-10(2,15-9(12)14)5-8-6-13-7-11(8)3-4-11/h8,13H,3-7H2,1-2H3,(H2,12,14)/t8-/m1/s1
InChIKeyLXQLZONZNJBSER-MRVPVSSYSA-N
XLogP1.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-Azabicyclo[3.1.0]hexan-6-yl)-2,2-dimethylpropyl] carbamate
CID 68716484
(1-Tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl carbamate
CID 68716486
[2-Methyl-4-(3-methylpyrrolidin-3-yl)butan-2-yl] carbamate
CID 150084417
[1-(3-Azabicyclo[4.1.0]heptan-6-yl)-2-methylpropan-2-yl] carbamate
CID 150239390
(2-Methyl-1-pyrrolidin-3-ylpropan-2-yl) carbamate
CID 150607776
[2-methyl-1-[(3R)-pyrrolidin-3-yl]propan-2-yl] carbamate
CID 153948659
[2-methyl-1-[(3S)-pyrrolidin-3-yl]propan-2-yl] carbamate
CID 153948660
2-(2-Butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-2-yl carbamate
CID 154650741
(2-Methyl-3-pyrrolidin-3-ylbutan-2-yl) carbamate
CID 174679579
[(3R)-2-methyl-3-[(3R)-pyrrolidin-3-yl]butan-2-yl] carbamate
CID 174679581
[2-methyl-3-[(3R)-pyrrolidin-3-yl]butan-2-yl] carbamate
CID 174741607
[2-methyl-3-[(3S)-pyrrolidin-3-yl]butan-2-yl] carbamate
CID 174741790

Frequently Asked Questions

What is the IUPAC name of [1-[(7S)-5-azaspiro[2.4]heptan-7-yl]-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-[(7S)-5-azaspiro[2.4]heptan-7-yl]-2-methylpropan-2-yl] carbamate (CID 137366133) is [1-[(7S)-5-azaspiro[2.4]heptan-7-yl]-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-[(7S)-5-azaspiro[2.4]heptan-7-yl]-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-[(7S)-5-azaspiro[2.4]heptan-7-yl]-2-methylpropan-2-yl] carbamate is CC(C)(C[C@@H]1CNCC12CC2)OC(N)=O.
What is the InChIKey of [1-[(7S)-5-azaspiro[2.4]heptan-7-yl]-2-methylpropan-2-yl] carbamate?
The InChIKey is LXQLZONZNJBSER-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-10(2,15-9(12)14)5-8-6-13-7-11(8)3-4-11/h8,13H,3-7H2,1-2H3,(H2,12,14)/t8-/m1/s1.
What are the key properties of [1-[(7S)-5-azaspiro[2.4]heptan-7-yl]-2-methylpropan-2-yl] carbamate?
[1-[(7S)-5-azaspiro[2.4]heptan-7-yl]-2-methylpropan-2-yl] carbamate has a molecular weight of 212.29 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(7S)-5-azaspiro[2.4]heptan-7-yl]-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 137366133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).