tert-butyl 4'-methyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate

C16H26N2O4 — CID 91812250

IUPACtert-butyl 4'-methyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate
SMILESCN1CC2(CC3CCC(C2)N3C(=O)OC(C)(C)C)OCC1=O
InChIInChI=1S/C16H26N2O4/c1-15(2,3)22-14(20)18-11-5-6-12(18)8-16(7-11)10-17(4)13(19)9-21-16/h11-12H,5-10H2,1-4H3
InChIKeyPKWYHDZERAYGNK-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.78
Rot. Bonds

About tert-butyl 4'-methyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate

tert-butyl 4'-methyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate (PubChem CID 91812250) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is tert-butyl 4'-methyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 4'-methyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate
PubChem CID91812250
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Nametert-butyl 4'-methyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate
SMILESCN1CC2(CC3CCC(C2)N3C(=O)OC(C)(C)C)OCC1=O
InChIInChI=1S/C16H26N2O4/c1-15(2,3)22-14(20)18-11-5-6-12(18)8-16(7-11)10-17(4)13(19)9-21-16/h11-12H,5-10H2,1-4H3
InChIKeyPKWYHDZERAYGNK-UHFFFAOYSA-N
XLogP1.78
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4'-methyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate with MolForge

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Related Compounds

Tert-butyl 4'-(tert-butyl)-5'-oxo-8-azaspiro[bicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate
CID 91812188
4'-Methyl-8-azaspiro[bicyclo[3.2.1]octane-3,2'-morpholin]-5'-one hydrochloride
CID 91812251
4'-(Tert-butyl)-8-azaspiro[bicyclo[3.2.1]octane-3,2'-morpholin]-5'-one hydrochloride
CID 91812262
Tert-butyl 3'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate
CID 121315701
tert-butyl (1S,5R)-3'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate
CID 121344145
3-Ethyl-2,2,4,4,20-pentamethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one;(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) propanoate
CID 159937482
tert-butyl (1S,5R)-3-hydroxy-3-(morpholin-4-ylmethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 168996193
Tert-butyl 3-hydroxy-3-(morpholin-4-ylmethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 168996218
3-Hydroxy-3-(morpholin-4-ylmethyl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 169749162
(1S,5R)-3-hydroxy-3-(morpholin-4-ylmethyl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 169749662
(5S)-3-hydroxy-3-(morpholin-4-ylmethyl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 169791515
tert-butyl rac-(1R,3r,5S)-8H-spiro[8-azabicyclo[3.2.1]octane-3,2'-[1,4]oxazinane]-8-carboxylate
CID 74788379

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4'-methyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate?
The IUPAC name of tert-butyl 4'-methyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate (CID 91812250) is tert-butyl 4'-methyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate.
What is the SMILES notation for tert-butyl 4'-methyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate?
The canonical SMILES for tert-butyl 4'-methyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate is CN1CC2(CC3CCC(C2)N3C(=O)OC(C)(C)C)OCC1=O.
What is the InChIKey of tert-butyl 4'-methyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate?
The InChIKey is PKWYHDZERAYGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-15(2,3)22-14(20)18-11-5-6-12(18)8-16(7-11)10-17(4)13(19)9-21-16/h11-12H,5-10H2,1-4H3.
What are the key properties of tert-butyl 4'-methyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate?
tert-butyl 4'-methyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate has a molecular weight of 310.39 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4'-methyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate is sourced from PubChem (CID 91812250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).