tert-butyl 2-ethyl-3-methyl-1-oxo-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate

C15H26N2O4 — CID 59373313

IUPACtert-butyl 2-ethyl-3-methyl-1-oxo-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCCN1C(=O)C2(CC1C)CN(C(=O)OC(C)(C)C)CCO2
InChIInChI=1S/C15H26N2O4/c1-6-17-11(2)9-15(12(17)18)10-16(7-8-20-15)13(19)21-14(3,4)5/h11H,6-10H2,1-5H3
InChIKeyLSYJXGBGWQPECS-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.63
Rot. Bonds1

About tert-butyl 2-ethyl-3-methyl-1-oxo-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate

tert-butyl 2-ethyl-3-methyl-1-oxo-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate (PubChem CID 59373313) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is tert-butyl 2-ethyl-3-methyl-1-oxo-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-ethyl-3-methyl-1-oxo-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate
PubChem CID59373313
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Nametert-butyl 2-ethyl-3-methyl-1-oxo-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCCN1C(=O)C2(CC1C)CN(C(=O)OC(C)(C)C)CCO2
InChIInChI=1S/C15H26N2O4/c1-6-17-11(2)9-15(12(17)18)10-16(7-8-20-15)13(19)21-14(3,4)5/h11H,6-10H2,1-5H3
InChIKeyLSYJXGBGWQPECS-UHFFFAOYSA-N
XLogP1.63
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-ethyl-3-methyl-1-oxo-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate with MolForge

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Related Compounds

4-O-tert-butyl 2-O-ethyl 2-methylmorpholine-2,4-dicarboxylate
CID 131997082
tert-butyl 8-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CID 99114871
tert-butyl 2-ethyl-4-methyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 59373297
tert-butyl 9-oxo-1-oxa-4-azaspiro[5.5]undecane-4-carboxylate
CID 71305766
tert-butyl 7,9-dimethyl-8-oxo-2-azaspiro[4.5]decane-2-carboxylate
CID 134201957
tert-butyl (3R,5R)-3-(hydroxymethyl)-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxylate
CID 100911271
tert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate
CID 144719040
tert-butyl (6S)-6-hydroxy-6-methyl-1,4-oxazepane-4-carboxylate
CID 125117343
tert-butyl 2-tert-butyl-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 170651649
tert-butyl 2-(3-aminopropyl)-2-methylmorpholine-4-carboxylate
CID 131997109
2-[(2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-(trifluoromethyl)morpholin-2-yl]acetic acid
CID 129451522
tert-butyl 4-ethylpiperazine-1-carboxylate
CID 21224793

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-ethyl-3-methyl-1-oxo-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate?
The IUPAC name of tert-butyl 2-ethyl-3-methyl-1-oxo-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate (CID 59373313) is tert-butyl 2-ethyl-3-methyl-1-oxo-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate.
What is the SMILES notation for tert-butyl 2-ethyl-3-methyl-1-oxo-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate?
The canonical SMILES for tert-butyl 2-ethyl-3-methyl-1-oxo-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate is CCN1C(=O)C2(CC1C)CN(C(=O)OC(C)(C)C)CCO2.
What is the InChIKey of tert-butyl 2-ethyl-3-methyl-1-oxo-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate?
The InChIKey is LSYJXGBGWQPECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-6-17-11(2)9-15(12(17)18)10-16(7-8-20-15)13(19)21-14(3,4)5/h11H,6-10H2,1-5H3.
What are the key properties of tert-butyl 2-ethyl-3-methyl-1-oxo-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate?
tert-butyl 2-ethyl-3-methyl-1-oxo-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate has a molecular weight of 298.38 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-ethyl-3-methyl-1-oxo-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate is sourced from PubChem (CID 59373313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).