tert-butyl 7-hydroxy-5-azaspiro[3.4]octane-5-carboxylate

C12H21NO3 — CID 155937669

IUPACtert-butyl 7-hydroxy-5-azaspiro[3.4]octane-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O)CC12CCC2
InChIInChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-8-9(14)7-12(13)5-4-6-12/h9,14H,4-8H2,1-3H3
InChIKeyGLSQMVCPCJETIK-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.91
Rot. Bonds

About tert-butyl 7-hydroxy-5-azaspiro[3.4]octane-5-carboxylate

tert-butyl 7-hydroxy-5-azaspiro[3.4]octane-5-carboxylate (PubChem CID 155937669) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is tert-butyl 7-hydroxy-5-azaspiro[3.4]octane-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-hydroxy-5-azaspiro[3.4]octane-5-carboxylate
PubChem CID155937669
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nametert-butyl 7-hydroxy-5-azaspiro[3.4]octane-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O)CC12CCC2
InChIInChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-8-9(14)7-12(13)5-4-6-12/h9,14H,4-8H2,1-3H3
InChIKeyGLSQMVCPCJETIK-UHFFFAOYSA-N
XLogP1.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-hydroxy-5-azaspiro[3.4]octane-5-carboxylate?
The IUPAC name of tert-butyl 7-hydroxy-5-azaspiro[3.4]octane-5-carboxylate (CID 155937669) is tert-butyl 7-hydroxy-5-azaspiro[3.4]octane-5-carboxylate.
What is the SMILES notation for tert-butyl 7-hydroxy-5-azaspiro[3.4]octane-5-carboxylate?
The canonical SMILES for tert-butyl 7-hydroxy-5-azaspiro[3.4]octane-5-carboxylate is CC(C)(C)OC(=O)N1CC(O)CC12CCC2.
What is the InChIKey of tert-butyl 7-hydroxy-5-azaspiro[3.4]octane-5-carboxylate?
The InChIKey is GLSQMVCPCJETIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-8-9(14)7-12(13)5-4-6-12/h9,14H,4-8H2,1-3H3.
What are the key properties of tert-butyl 7-hydroxy-5-azaspiro[3.4]octane-5-carboxylate?
tert-butyl 7-hydroxy-5-azaspiro[3.4]octane-5-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-hydroxy-5-azaspiro[3.4]octane-5-carboxylate is sourced from PubChem (CID 155937669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).