tert-butyl N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate

C11H20N2O3 — CID 155893866

IUPACtert-butyl N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1COC2(CNC2)C1
InChIInChI=1S/C11H20N2O3/c1-10(2,3)16-9(14)13-8-4-11(15-5-8)6-12-7-11/h8,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyZFJVILVJFAFROD-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.64
Rot. Bonds1

About tert-butyl N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate

tert-butyl N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate (PubChem CID 155893866) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is tert-butyl N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate
PubChem CID155893866
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nametert-butyl N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1COC2(CNC2)C1
InChIInChI=1S/C11H20N2O3/c1-10(2,3)16-9(14)13-8-4-11(15-5-8)6-12-7-11/h8,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyZFJVILVJFAFROD-UHFFFAOYSA-N
XLogP0.64
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate;hydrochloride
CID 86767491
bis(tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate);oxalic acid
CID 91663877
tert-butyl N-(2,2-dimethyl-1,3-dioxan-5-yl)carbamate
CID 68605714
tert-butyl N-[(1R,5R)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]carbamate
CID 126970193
tert-butyl N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)carbamate
CID 69210205
tert-butyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate
CID 97291627
tert-butyl N-[(7S)-5-azaspiro[2.5]octan-7-yl]carbamate
CID 71206020
tert-butyl N-(8-phenylmethoxy-1-oxaspiro[4.5]decan-3-yl)carbamate
CID 166168690
tert-butyl N-(1,5,9-trioxaspiro[5.5]undecan-3-yl)carbamate
CID 175877569
tert-butyl N-(3,3-dimethoxycyclobutyl)carbamate
CID 142054635
tert-butyl N-(3-amino-3-methylcyclobutyl)carbamate
CID 71280569
tert-butyl N-[3-(azetidin-3-ylamino)cyclobutyl]carbamate
CID 107239124

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate?
The IUPAC name of tert-butyl N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate (CID 155893866) is tert-butyl N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate is CC(C)(C)OC(=O)NC1COC2(CNC2)C1.
What is the InChIKey of tert-butyl N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate?
The InChIKey is ZFJVILVJFAFROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-10(2,3)16-9(14)13-8-4-11(15-5-8)6-12-7-11/h8,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate?
tert-butyl N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate has a molecular weight of 228.29 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate is sourced from PubChem (CID 155893866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).