tert-butyl N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]carbamate

C14H26N2O3 — CID 99933957

IUPACtert-butyl N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1CC2(CCNCC2)CO1
InChIInChI=1S/C14H26N2O3/c1-13(2,3)19-12(17)16-9-11-8-14(10-18-11)4-6-15-7-5-14/h11,15H,4-10H2,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyUDRFMMANEMUIEH-LLVKDONJSA-N
MW270.37 g/mol
LogP1.67
Rot. Bonds2

About tert-butyl N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]carbamate

tert-butyl N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]carbamate (PubChem CID 99933957) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]carbamate
PubChem CID99933957
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1CC2(CCNCC2)CO1
InChIInChI=1S/C14H26N2O3/c1-13(2,3)19-12(17)16-9-11-8-14(10-18-11)4-6-15-7-5-14/h11,15H,4-10H2,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyUDRFMMANEMUIEH-LLVKDONJSA-N
XLogP1.67
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]carbamate
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tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
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tert-butyl N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]carbamate
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tert-butyl N-[(3,3-dimethylpiperidin-2-yl)methyl]carbamate
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tert-butyl N-[(2,2-dimethylpiperidin-4-yl)methyl]carbamate
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tert-butyl N-[(4-hydroxy-4-methylcyclohexyl)methyl]carbamate
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(2R,5S)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylic acid
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tert-butyl N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]carbamate;hydrochloride
CID 163332476
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[[2-(hydroxymethyl)spiro[2.2]pentan-5-yl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]carbamate (CID 99933957) is tert-butyl N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@H]1CC2(CCNCC2)CO1.
What is the InChIKey of tert-butyl N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]carbamate?
The InChIKey is UDRFMMANEMUIEH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-13(2,3)19-12(17)16-9-11-8-14(10-18-11)4-6-15-7-5-14/h11,15H,4-10H2,1-3H3,(H,16,17)/t11-/m1/s1.
What are the key properties of tert-butyl N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]carbamate?
tert-butyl N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]carbamate has a molecular weight of 270.37 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]carbamate is sourced from PubChem (CID 99933957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).