tert-butyl 3-morpholin-4-yl-7-azaspiro[3.5]nonane-7-carboxylate

C17H30N2O3 — CID 176884220

IUPACtert-butyl 3-morpholin-4-yl-7-azaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCC2N2CCOCC2)CC1
InChIInChI=1S/C17H30N2O3/c1-16(2,3)22-15(20)19-8-6-17(7-9-19)5-4-14(17)18-10-12-21-13-11-18/h14H,4-13H2,1-3H3
InChIKeyLZASQCAXEUWDCO-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.50
Rot. Bonds1

About tert-butyl 3-morpholin-4-yl-7-azaspiro[3.5]nonane-7-carboxylate

tert-butyl 3-morpholin-4-yl-7-azaspiro[3.5]nonane-7-carboxylate (PubChem CID 176884220) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is tert-butyl 3-morpholin-4-yl-7-azaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-morpholin-4-yl-7-azaspiro[3.5]nonane-7-carboxylate
PubChem CID176884220
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Nametert-butyl 3-morpholin-4-yl-7-azaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCC2N2CCOCC2)CC1
InChIInChI=1S/C17H30N2O3/c1-16(2,3)22-15(20)19-8-6-17(7-9-19)5-4-14(17)18-10-12-21-13-11-18/h14H,4-13H2,1-3H3
InChIKeyLZASQCAXEUWDCO-UHFFFAOYSA-N
XLogP2.50
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-morpholin-4-yl-8-azaspiro[4.5]decane-8-carboxylate
CID 169144108
tert-butyl 4-[(1S)-2,2-difluorocyclobutyl]piperazine-1-carboxylate
CID 135284315
tert-butyl 4-(oxan-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 169160969
tert-butyl 4-fluoro-4-(morpholin-4-ylmethyl)piperidine-1-carboxylate
CID 121290195
tert-butyl 10-amino-7-oxa-2-azaspiro[4.5]decane-2-carboxylate
CID 82380603
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-3-carboxylic acid
CID 129317695
potassium trifluoro-[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[2.5]octan-2-yl]boranuide
CID 146155743
8-O-tert-butyl 3-O-methyl (3S,4S)-4-hydroxy-8-azaspiro[4.5]decane-3,8-dicarboxylate
CID 97111241
tert-butyl morpholine-4-carboxylate;propan-1-ol
CID 145379856
tert-butyl 2-(bromomethyl)-6-azaspiro[2.5]octane-6-carboxylate
CID 121207544
tert-butyl pyrrolidine-1-carboxylate;oxan-4-amine
CID 143233414

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-morpholin-4-yl-7-azaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of tert-butyl 3-morpholin-4-yl-7-azaspiro[3.5]nonane-7-carboxylate (CID 176884220) is tert-butyl 3-morpholin-4-yl-7-azaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 3-morpholin-4-yl-7-azaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 3-morpholin-4-yl-7-azaspiro[3.5]nonane-7-carboxylate is CC(C)(C)OC(=O)N1CCC2(CCC2N2CCOCC2)CC1.
What is the InChIKey of tert-butyl 3-morpholin-4-yl-7-azaspiro[3.5]nonane-7-carboxylate?
The InChIKey is LZASQCAXEUWDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-16(2,3)22-15(20)19-8-6-17(7-9-19)5-4-14(17)18-10-12-21-13-11-18/h14H,4-13H2,1-3H3.
What are the key properties of tert-butyl 3-morpholin-4-yl-7-azaspiro[3.5]nonane-7-carboxylate?
tert-butyl 3-morpholin-4-yl-7-azaspiro[3.5]nonane-7-carboxylate has a molecular weight of 310.44 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-morpholin-4-yl-7-azaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 176884220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).