tert-butyl 5-hydroxy-2,8-diazaspiro[3.5]nonane-2-carboxylate

C12H22N2O3 — CID 82386806

IUPACtert-butyl 5-hydroxy-2,8-diazaspiro[3.5]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CNCCC2O)C1
InChIInChI=1S/C12H22N2O3/c1-11(2,3)17-10(16)14-7-12(8-14)6-13-5-4-9(12)15/h9,13,15H,4-8H2,1-3H3
InChIKeyNDPVLMIRCOUNJR-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.58
Rot. Bonds

About tert-butyl 5-hydroxy-2,8-diazaspiro[3.5]nonane-2-carboxylate

tert-butyl 5-hydroxy-2,8-diazaspiro[3.5]nonane-2-carboxylate (PubChem CID 82386806) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl 5-hydroxy-2,8-diazaspiro[3.5]nonane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-hydroxy-2,8-diazaspiro[3.5]nonane-2-carboxylate
PubChem CID82386806
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl 5-hydroxy-2,8-diazaspiro[3.5]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CNCCC2O)C1
InChIInChI=1S/C12H22N2O3/c1-11(2,3)17-10(16)14-7-12(8-14)6-13-5-4-9(12)15/h9,13,15H,4-8H2,1-3H3
InChIKeyNDPVLMIRCOUNJR-UHFFFAOYSA-N
XLogP0.58
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 10-fluoro-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 71305847
tert-butyl 6-hydroxy-2-azaspiro[4.5]decane-2-carboxylate
CID 135395733
tert-butyl 4-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 83488546
tert-butyl 3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 130003362
tert-butyl (5S,9S)-9-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
CID 124555987
tert-butyl 2-amino-5-azaspiro[2.3]hexane-5-carboxylate
CID 83831540
tert-butyl 4-(5-azaspiro[2.4]heptan-2-yl)piperidine-1-carboxylate
CID 115051625
tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;ethane
CID 168901437
tert-butyl (3aS,8aR)-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine-2-carboxylate
CID 71306003
tert-butyl 8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,6-diazaspiro[3.4]octane-6-carboxylate
CID 167742080
bis(tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate);oxalic acid
CID 50902214
tert-butyl 3-amino-3-(trifluoromethyl)azetidine-1-carboxylate
CID 50986404

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-hydroxy-2,8-diazaspiro[3.5]nonane-2-carboxylate?
The IUPAC name of tert-butyl 5-hydroxy-2,8-diazaspiro[3.5]nonane-2-carboxylate (CID 82386806) is tert-butyl 5-hydroxy-2,8-diazaspiro[3.5]nonane-2-carboxylate.
What is the SMILES notation for tert-butyl 5-hydroxy-2,8-diazaspiro[3.5]nonane-2-carboxylate?
The canonical SMILES for tert-butyl 5-hydroxy-2,8-diazaspiro[3.5]nonane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(CNCCC2O)C1.
What is the InChIKey of tert-butyl 5-hydroxy-2,8-diazaspiro[3.5]nonane-2-carboxylate?
The InChIKey is NDPVLMIRCOUNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-11(2,3)17-10(16)14-7-12(8-14)6-13-5-4-9(12)15/h9,13,15H,4-8H2,1-3H3.
What are the key properties of tert-butyl 5-hydroxy-2,8-diazaspiro[3.5]nonane-2-carboxylate?
tert-butyl 5-hydroxy-2,8-diazaspiro[3.5]nonane-2-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 0.58, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-hydroxy-2,8-diazaspiro[3.5]nonane-2-carboxylate is sourced from PubChem (CID 82386806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).