tert-butyl 3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

C13H23NO4 — CID 22744549

IUPACtert-butyl 3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(O)CO2
InChIInChI=1S/C13H23NO4/c1-12(2,3)18-11(16)14-6-4-13(5-7-14)8-10(15)9-17-13/h10,15H,4-9H2,1-3H3
InChIKeyHCDWHGFENXBNSC-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.54
Rot. Bonds

About tert-butyl 3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

tert-butyl 3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 22744549) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is tert-butyl 3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID22744549
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nametert-butyl 3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(O)CO2
InChIInChI=1S/C13H23NO4/c1-12(2,3)18-11(16)14-6-4-13(5-7-14)8-10(15)9-17-13/h10,15H,4-9H2,1-3H3
InChIKeyHCDWHGFENXBNSC-UHFFFAOYSA-N
XLogP1.54
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (CID 22744549) is tert-butyl 3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CC(O)CO2.
What is the InChIKey of tert-butyl 3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is HCDWHGFENXBNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-12(2,3)18-11(16)14-6-4-13(5-7-14)8-10(15)9-17-13/h10,15H,4-9H2,1-3H3.
What are the key properties of tert-butyl 3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
tert-butyl 3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 22744549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).