tert-butyl 3-methyl-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate

C14H23NO4 — CID 67972128

IUPACtert-butyl 3-methyl-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCC1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1
InChIInChI=1S/C14H23NO4/c1-10-9-14(11(16)18-10)5-7-15(8-6-14)12(17)19-13(2,3)4/h10H,5-9H2,1-4H3
InChIKeyVNHBQPFMIDTKST-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.34
Rot. Bonds

About tert-butyl 3-methyl-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate

tert-butyl 3-methyl-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 67972128) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is tert-butyl 3-methyl-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID67972128
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Nametert-butyl 3-methyl-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCC1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1
InChIInChI=1S/C14H23NO4/c1-10-9-14(11(16)18-10)5-7-15(8-6-14)12(17)19-13(2,3)4/h10H,5-9H2,1-4H3
InChIKeyVNHBQPFMIDTKST-UHFFFAOYSA-N
XLogP2.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 3-methyl-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate (CID 67972128) is tert-butyl 3-methyl-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate is CC1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1.
What is the InChIKey of tert-butyl 3-methyl-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is VNHBQPFMIDTKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-10-9-14(11(16)18-10)5-7-15(8-6-14)12(17)19-13(2,3)4/h10H,5-9H2,1-4H3.
What are the key properties of tert-butyl 3-methyl-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate?
tert-butyl 3-methyl-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 67972128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).