tert-butyl N-[(3R,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate

C14H26N2O3 — CID 139427232

IUPACtert-butyl N-[(3R,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate
SMILESC[C@H]1OCC2(CCNCC2)[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-10-11(16-12(17)19-13(2,3)4)14(9-18-10)5-7-15-8-6-14/h10-11,15H,5-9H2,1-4H3,(H,16,17)/t10-,11-/m1/s1
InChIKeyNAKXVJZOCXPVBD-GHMZBOCLSA-N
MW270.37 g/mol
LogP1.67
Rot. Bonds1

About tert-butyl N-[(3R,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate

tert-butyl N-[(3R,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate (PubChem CID 139427232) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl N-[(3R,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate
PubChem CID139427232
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl N-[(3R,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate
SMILESC[C@H]1OCC2(CCNCC2)[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-10-11(16-12(17)19-13(2,3)4)14(9-18-10)5-7-15-8-6-14/h10-11,15H,5-9H2,1-4H3,(H,16,17)/t10-,11-/m1/s1
InChIKeyNAKXVJZOCXPVBD-GHMZBOCLSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(4R)-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate
CID 155904737
tert-butyl N-(8-azaspiro[4.5]decan-4-yl)carbamate
CID 127264221
6-bromo-5-methyl-3-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carboxylic acid
CID 169081935
tert-butyl N-(8-azaspiro[4.5]decan-10-yl)carbamate
CID 83680565
tert-butyl N-[(3R,4R)-6-azaspiro[3.4]octan-3-yl]carbamate
CID 97294998
tert-butyl N-[(3S,4S)-8-(6-amino-3-carbamoylpyrazin-2-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate
CID 166465289
tert-butyl N-[(3S,4S)-8-(5-bromo-4-cyano-6-methylpyrimidin-2-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate
CID 155089561
tert-butyl N-[(3S,4S)-3-methyl-8-[5-methyl-4-oxo-3-(2-trimethylsilylethynyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate
CID 156771457
tert-butyl 3-bromo-6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate
CID 153300195
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
tert-butyl N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]carbamate
CID 99933957
tert-butyl (3S,4S)-4-(tert-butylsulfinylamino)-3-methyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 146669891

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate (CID 139427232) is tert-butyl N-[(3R,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate is C[C@H]1OCC2(CCNCC2)[C@@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3R,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate?
The InChIKey is NAKXVJZOCXPVBD-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10-11(16-12(17)19-13(2,3)4)14(9-18-10)5-7-15-8-6-14/h10-11,15H,5-9H2,1-4H3,(H,16,17)/t10-,11-/m1/s1.
What are the key properties of tert-butyl N-[(3R,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate?
tert-butyl N-[(3R,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate has a molecular weight of 270.37 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate is sourced from PubChem (CID 139427232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).