tert-butyl 7-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate

C11H19NO3 — CID 71743612

IUPACtert-butyl 7-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCC2O)C1
InChIInChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-6-11(7-12)5-4-8(11)13/h8,13H,4-7H2,1-3H3
InChIKeyFSGQXNPPVVOQHQ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.38
Rot. Bonds

About tert-butyl 7-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate

tert-butyl 7-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate (PubChem CID 71743612) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl 7-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate
PubChem CID71743612
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl 7-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCC2O)C1
InChIInChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-6-11(7-12)5-4-8(11)13/h8,13H,4-7H2,1-3H3
InChIKeyFSGQXNPPVVOQHQ-UHFFFAOYSA-N
XLogP1.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate
CID 52987765
Tert-butyl 6-(hydroxymethyl)-2-azaspiro(3.3)heptane-2-carboxylate
CID 72207742
tert-Butyl 3-(3-hydroxypropyl)azetidine-1-carboxylate
CID 19034078
Tert-butyl 3-(3-hydroxy-2-methylpropyl)azetidine-1-carboxylate
CID 68759266
2-Boc-6-hydroxy-2-azaspiro(3.4)octane
CID 72207458
Tert-butyl 6-hydroxy-1-azaspiro(3.3)heptane-1-carboxylate
CID 72207992
Tert-butyl 1-(hydroxymethyl)-5-azaspiro(2.3)hexane-5-carboxylate
CID 84679792
Tert-butyl 6-(aminomethyl)-6-(hydroxymethyl)-2-azaspiro[3.3]heptane-2-carboxylate
CID 178199953
Tert-butyl 3-(2-fluoro-3-hydroxypropyl)azetidine-1-carboxylate
CID 122239983
tert-butyl 3-[(2R)-2-fluoro-3-hydroxypropyl]azetidine-1-carboxylate
CID 129563012
tert-butyl 3-[(2S)-2-fluoro-3-hydroxypropyl]azetidine-1-carboxylate
CID 129563013
Tert-butyl 5,5-difluoro-6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate
CID 177791685

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate?
The IUPAC name of tert-butyl 7-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate (CID 71743612) is tert-butyl 7-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate.
What is the SMILES notation for tert-butyl 7-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate?
The canonical SMILES for tert-butyl 7-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(CCC2O)C1.
What is the InChIKey of tert-butyl 7-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate?
The InChIKey is FSGQXNPPVVOQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-6-11(7-12)5-4-8(11)13/h8,13H,4-7H2,1-3H3.
What are the key properties of tert-butyl 7-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate?
tert-butyl 7-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.38, 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-2-azaspiro[3.3]heptane-2-carboxylate is sourced from PubChem (CID 71743612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).