tert-butyl N-[(5R)-9-oxa-1-azaspiro[5.5]undecan-5-yl]carbamate

C14H26N2O3 — CID 134959850

IUPACtert-butyl N-[(5R)-9-oxa-1-azaspiro[5.5]undecan-5-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCNC12CCOCC2
InChIInChI=1S/C14H26N2O3/c1-13(2,3)19-12(17)16-11-5-4-8-15-14(11)6-9-18-10-7-14/h11,15H,4-10H2,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyFNZQVYCHOSYESQ-LLVKDONJSA-N
MW270.37 g/mol
LogP1.81
Rot. Bonds1

About tert-butyl N-[(5R)-9-oxa-1-azaspiro[5.5]undecan-5-yl]carbamate

tert-butyl N-[(5R)-9-oxa-1-azaspiro[5.5]undecan-5-yl]carbamate (PubChem CID 134959850) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl N-[(5R)-9-oxa-1-azaspiro[5.5]undecan-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5R)-9-oxa-1-azaspiro[5.5]undecan-5-yl]carbamate
PubChem CID134959850
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl N-[(5R)-9-oxa-1-azaspiro[5.5]undecan-5-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCNC12CCOCC2
InChIInChI=1S/C14H26N2O3/c1-13(2,3)19-12(17)16-11-5-4-8-15-14(11)6-9-18-10-7-14/h11,15H,4-10H2,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyFNZQVYCHOSYESQ-LLVKDONJSA-N
XLogP1.81
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5R)-9-oxa-1-azaspiro[5.5]undecan-5-yl]carbamate?
The IUPAC name of tert-butyl N-[(5R)-9-oxa-1-azaspiro[5.5]undecan-5-yl]carbamate (CID 134959850) is tert-butyl N-[(5R)-9-oxa-1-azaspiro[5.5]undecan-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(5R)-9-oxa-1-azaspiro[5.5]undecan-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[(5R)-9-oxa-1-azaspiro[5.5]undecan-5-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCCNC12CCOCC2.
What is the InChIKey of tert-butyl N-[(5R)-9-oxa-1-azaspiro[5.5]undecan-5-yl]carbamate?
The InChIKey is FNZQVYCHOSYESQ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-13(2,3)19-12(17)16-11-5-4-8-15-14(11)6-9-18-10-7-14/h11,15H,4-10H2,1-3H3,(H,16,17)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(5R)-9-oxa-1-azaspiro[5.5]undecan-5-yl]carbamate?
tert-butyl N-[(5R)-9-oxa-1-azaspiro[5.5]undecan-5-yl]carbamate has a molecular weight of 270.37 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5R)-9-oxa-1-azaspiro[5.5]undecan-5-yl]carbamate is sourced from PubChem (CID 134959850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).