tert-butyl 7-hydroxy-2,5-diazaspiro[3.4]octane-2-carboxylate

C11H20N2O3 — CID 155820592

IUPACtert-butyl 7-hydroxy-2,5-diazaspiro[3.4]octane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CC(O)CN2)C1
InChIInChI=1S/C11H20N2O3/c1-10(2,3)16-9(15)13-6-11(7-13)4-8(14)5-12-11/h8,12,14H,4-7H2,1-3H3
InChIKeyVBEPRGVZKBMFPM-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.33
Rot. Bonds

About tert-butyl 7-hydroxy-2,5-diazaspiro[3.4]octane-2-carboxylate

tert-butyl 7-hydroxy-2,5-diazaspiro[3.4]octane-2-carboxylate (PubChem CID 155820592) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is tert-butyl 7-hydroxy-2,5-diazaspiro[3.4]octane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-hydroxy-2,5-diazaspiro[3.4]octane-2-carboxylate
PubChem CID155820592
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nametert-butyl 7-hydroxy-2,5-diazaspiro[3.4]octane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CC(O)CN2)C1
InChIInChI=1S/C11H20N2O3/c1-10(2,3)16-9(15)13-6-11(7-13)4-8(14)5-12-11/h8,12,14H,4-7H2,1-3H3
InChIKeyVBEPRGVZKBMFPM-UHFFFAOYSA-N
XLogP0.33
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 7-hydroxy-2,5-diazaspiro[3.4]octane-2-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 3-(2,2-dimethylpropyl)-1,9-diazaspiro[4.5]decane-9-carboxylate
CID 165485581
tert-butyl 2,5-diazaspiro[3.5]non-7-ene-2-carboxylate
CID 155858967
tert-butyl 3-amino-3-(trifluoromethyl)azetidine-1-carboxylate
CID 50986404
tert-butyl 2-amino-5-azaspiro[2.3]hexane-5-carboxylate
CID 83831540
tert-butyl (3aS,5S,6aS)-5-hydroxy-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
CID 146422919
CID 176582761
CID 176582761
tert-butyl 3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 130003362
tert-butyl 9-fluoro-2,6-diazaspiro[4.5]decane-2-carboxylate
CID 115048250
tert-butyl (7S)-7-hydroxy-6-methyl-2-azaspiro[3.5]nonane-2-carboxylate
CID 167108536
tert-butyl (6R,7R)-7-hydroxy-6-methyl-2-azaspiro[3.5]nonane-2-carboxylate
CID 170617037
ditert-butyl (7R,8S)-7,8-dihydroxy-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate
CID 178194780
(3S,5S)-5-hydroxy-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 156592405

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-hydroxy-2,5-diazaspiro[3.4]octane-2-carboxylate?
The IUPAC name of tert-butyl 7-hydroxy-2,5-diazaspiro[3.4]octane-2-carboxylate (CID 155820592) is tert-butyl 7-hydroxy-2,5-diazaspiro[3.4]octane-2-carboxylate.
What is the SMILES notation for tert-butyl 7-hydroxy-2,5-diazaspiro[3.4]octane-2-carboxylate?
The canonical SMILES for tert-butyl 7-hydroxy-2,5-diazaspiro[3.4]octane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(CC(O)CN2)C1.
What is the InChIKey of tert-butyl 7-hydroxy-2,5-diazaspiro[3.4]octane-2-carboxylate?
The InChIKey is VBEPRGVZKBMFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-10(2,3)16-9(15)13-6-11(7-13)4-8(14)5-12-11/h8,12,14H,4-7H2,1-3H3.
What are the key properties of tert-butyl 7-hydroxy-2,5-diazaspiro[3.4]octane-2-carboxylate?
tert-butyl 7-hydroxy-2,5-diazaspiro[3.4]octane-2-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 0.33, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-hydroxy-2,5-diazaspiro[3.4]octane-2-carboxylate is sourced from PubChem (CID 155820592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).