tert-butyl (4R)-4-butyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

C17H30N2O3 — CID 97114235

IUPACtert-butyl (4R)-4-butyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCCCC[C@H]1C(=O)NCC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C17H30N2O3/c1-5-6-7-13-14(20)18-12-17(13)8-10-19(11-9-17)15(21)22-16(2,3)4/h13H,5-12H2,1-4H3,(H,18,20)/t13-/m0/s1
InChIKeyGEXOXBXZZCLIAY-ZDUSSCGKSA-N
MW310.44 g/mol
LogP2.94
Rot. Bonds3

About tert-butyl (4R)-4-butyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

tert-butyl (4R)-4-butyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 97114235) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is tert-butyl (4R)-4-butyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-butyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID97114235
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Nametert-butyl (4R)-4-butyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCCCC[C@H]1C(=O)NCC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C17H30N2O3/c1-5-6-7-13-14(20)18-12-17(13)8-10-19(11-9-17)15(21)22-16(2,3)4/h13H,5-12H2,1-4H3,(H,18,20)/t13-/m0/s1
InChIKeyGEXOXBXZZCLIAY-ZDUSSCGKSA-N
XLogP2.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-butyl-6-azaspiro[2.5]octane-6-carboxylate
CID 150980287
tert-butyl 2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
CID 10015278
tert-butyl 2-(bromomethyl)-6-azaspiro[2.5]octane-6-carboxylate
CID 121207544
tert-butyl 5-amino-2-methyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 135396359
tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate
CID 145107910
tert-butyl 4-hydroxy-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 86709491
(4R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-8-azaspiro[4.5]decane-4-carboxylic acid
CID 155905422
tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939891
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 5-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 131391492
tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;hydrochloride
CID 86280112
tert-butyl 2-methyl-3,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
CID 130597122

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-butyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl (4R)-4-butyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate (CID 97114235) is tert-butyl (4R)-4-butyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-butyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-butyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate is CCCC[C@H]1C(=O)NCC12CCN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl (4R)-4-butyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is GEXOXBXZZCLIAY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-5-6-7-13-14(20)18-12-17(13)8-10-19(11-9-17)15(21)22-16(2,3)4/h13H,5-12H2,1-4H3,(H,18,20)/t13-/m0/s1.
What are the key properties of tert-butyl (4R)-4-butyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
tert-butyl (4R)-4-butyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 310.44 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-butyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 97114235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).