tert-butyl 4-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxylate

C13H24N2O3 — CID 83488546

IUPACtert-butyl 4-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(CNCC2O)C1
InChIInChI=1S/C13H24N2O3/c1-12(2,3)18-11(17)15-6-4-5-13(9-15)8-14-7-10(13)16/h10,14,16H,4-9H2,1-3H3
InChIKeyIGPRGLZTAXRMEF-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.97
Rot. Bonds

About tert-butyl 4-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxylate

tert-butyl 4-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxylate (PubChem CID 83488546) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxylate
PubChem CID83488546
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl 4-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(CNCC2O)C1
InChIInChI=1S/C13H24N2O3/c1-12(2,3)18-11(17)15-6-4-5-13(9-15)8-14-7-10(13)16/h10,14,16H,4-9H2,1-3H3
InChIKeyIGPRGLZTAXRMEF-UHFFFAOYSA-N
XLogP0.97
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (5S,9S)-9-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
CID 124555987
tert-butyl 6-hydroxy-2-azaspiro[4.5]decane-2-carboxylate
CID 135395733
tert-butyl (3R,4S)-3-amino-6-azaspiro[3.5]nonane-6-carboxylate
CID 97294860
tert-butyl 11-amino-2-azaspiro[5.5]undecane-2-carboxylate
CID 82667309
tert-butyl 5-hydroxy-2,8-diazaspiro[3.5]nonane-2-carboxylate
CID 82386806
2-O-tert-butyl 9-O-ethyl 2,7-diazaspiro[4.4]nonane-2,9-dicarboxylate
CID 71305548
2-O-tert-butyl 9-O-ethyl (5R,9R)-2,7-diazaspiro[4.4]nonane-2,9-dicarboxylate
CID 97111372
tert-butyl 4-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 83488478
tert-butyl 2-[2-(methylamino)ethyl]-5-azaspiro[2.5]octane-5-carboxylate
CID 84712230
tert-butyl 10-fluoro-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 71305847
tert-butyl 3,3-dimethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 59373529
tert-butyl (3S)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 97172659

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxylate (CID 83488546) is tert-butyl 4-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxylate is CC(C)(C)OC(=O)N1CCCC2(CNCC2O)C1.
What is the InChIKey of tert-butyl 4-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxylate?
The InChIKey is IGPRGLZTAXRMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-12(2,3)18-11(17)15-6-4-5-13(9-15)8-14-7-10(13)16/h10,14,16H,4-9H2,1-3H3.
What are the key properties of tert-butyl 4-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxylate?
tert-butyl 4-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 83488546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).