tert-butyl 1-hydroxy-2-azaspiro[4.4]non-7-ene-2-carboxylate

C13H21NO3 — CID 142283512

IUPACtert-butyl 1-hydroxy-2-azaspiro[4.4]non-7-ene-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC=CC2)C1O
InChIInChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-9-8-13(10(14)15)6-4-5-7-13/h4-5,10,15H,6-9H2,1-3H3
InChIKeyHGHATAWLRMOWLL-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.28
Rot. Bonds

About tert-butyl 1-hydroxy-2-azaspiro[4.4]non-7-ene-2-carboxylate

tert-butyl 1-hydroxy-2-azaspiro[4.4]non-7-ene-2-carboxylate (PubChem CID 142283512) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is tert-butyl 1-hydroxy-2-azaspiro[4.4]non-7-ene-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-hydroxy-2-azaspiro[4.4]non-7-ene-2-carboxylate
PubChem CID142283512
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Nametert-butyl 1-hydroxy-2-azaspiro[4.4]non-7-ene-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC=CC2)C1O
InChIInChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-9-8-13(10(14)15)6-4-5-7-13/h4-5,10,15H,6-9H2,1-3H3
InChIKeyHGHATAWLRMOWLL-UHFFFAOYSA-N
XLogP2.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

bis[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonan-1-yl] oxalate
CID 162368130
5-O-tert-butyl 4-O-ethyl 5-azaspiro[2.4]heptane-4,5-dicarboxylate
CID 118332036
tert-butyl 4-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 130204248
tert-butyl 4,4-ditert-butyl-2-methylpiperidine-1-carboxylate
CID 156630485
tert-butyl (5R,7S)-7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 70169773
tert-butyl (3S)-2-hydroxy-3-methyl-3-prop-2-enylpiperidine-1-carboxylate
CID 155131478
tert-butyl (2S,3R)-3-hydroxy-2-methylazetidine-1-carboxylate
CID 99770590
tert-butyl (2S)-2-tert-butyl-3-hydroxypyrrolidine-1-carboxylate
CID 141408169
tert-butyl 3,3-difluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 123776384
(7S)-6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[2.5]octane-7-carboxylic acid
CID 66848235
tert-butyl 2-hydroxypiperazine-1-carboxylate
CID 45358354
ditert-butyl (3S)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 90943157

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-hydroxy-2-azaspiro[4.4]non-7-ene-2-carboxylate?
The IUPAC name of tert-butyl 1-hydroxy-2-azaspiro[4.4]non-7-ene-2-carboxylate (CID 142283512) is tert-butyl 1-hydroxy-2-azaspiro[4.4]non-7-ene-2-carboxylate.
What is the SMILES notation for tert-butyl 1-hydroxy-2-azaspiro[4.4]non-7-ene-2-carboxylate?
The canonical SMILES for tert-butyl 1-hydroxy-2-azaspiro[4.4]non-7-ene-2-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC=CC2)C1O.
What is the InChIKey of tert-butyl 1-hydroxy-2-azaspiro[4.4]non-7-ene-2-carboxylate?
The InChIKey is HGHATAWLRMOWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-9-8-13(10(14)15)6-4-5-7-13/h4-5,10,15H,6-9H2,1-3H3.
What are the key properties of tert-butyl 1-hydroxy-2-azaspiro[4.4]non-7-ene-2-carboxylate?
tert-butyl 1-hydroxy-2-azaspiro[4.4]non-7-ene-2-carboxylate has a molecular weight of 239.31 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-hydroxy-2-azaspiro[4.4]non-7-ene-2-carboxylate is sourced from PubChem (CID 142283512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).