tert-butyl N-[(5S,7S)-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate

C14H24N2O3 — CID 67108890

IUPACtert-butyl N-[(5S,7S)-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCC[C@]2(CCNC2=O)C1
InChIInChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-10-5-4-6-14(9-10)7-8-15-11(14)17/h10H,4-9H2,1-3H3,(H,15,17)(H,16,18)/t10-,14-/m0/s1
InChIKeyWLNUGASXGBUTOY-HZMBPMFUSA-N
MW268.36 g/mol
LogP1.96
Rot. Bonds1

About tert-butyl N-[(5S,7S)-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate

tert-butyl N-[(5S,7S)-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate (PubChem CID 67108890) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is tert-butyl N-[(5S,7S)-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5S,7S)-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate
PubChem CID67108890
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nametert-butyl N-[(5S,7S)-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCC[C@]2(CCNC2=O)C1
InChIInChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-10-5-4-6-14(9-10)7-8-15-11(14)17/h10H,4-9H2,1-3H3,(H,15,17)(H,16,18)/t10-,14-/m0/s1
InChIKeyWLNUGASXGBUTOY-HZMBPMFUSA-N
XLogP1.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(5S,7R)-2-azaspiro[4.5]decan-7-yl]carbamate
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tert-butyl N-(2-aminospiro[3.5]nonan-8-yl)carbamate;hydrochloride
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N-(1-oxo-2-azaspiro[4.5]decan-7-yl)-1,3-thiazole-2-carboxamide
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tert-butyl N-(2-oxospiro[3.5]nonan-7-yl)carbamate
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tert-butyl N-[(7S)-2-[(4-methoxyphenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate
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tert-butyl N-[(3R)-5-oxopyrrolidin-3-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5S,7S)-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate?
The IUPAC name of tert-butyl N-[(5S,7S)-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate (CID 67108890) is tert-butyl N-[(5S,7S)-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(5S,7S)-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate?
The canonical SMILES for tert-butyl N-[(5S,7S)-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCC[C@]2(CCNC2=O)C1.
What is the InChIKey of tert-butyl N-[(5S,7S)-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate?
The InChIKey is WLNUGASXGBUTOY-HZMBPMFUSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-10-5-4-6-14(9-10)7-8-15-11(14)17/h10H,4-9H2,1-3H3,(H,15,17)(H,16,18)/t10-,14-/m0/s1.
What are the key properties of tert-butyl N-[(5S,7S)-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate?
tert-butyl N-[(5S,7S)-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate has a molecular weight of 268.36 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5S,7S)-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate is sourced from PubChem (CID 67108890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).