tert-butyl 3-tert-butyl-6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate

C15H27NO3 — CID 141475764

IUPACtert-butyl 3-tert-butyl-6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CC(O)C2)C1C(C)(C)C
InChIInChI=1S/C15H27NO3/c1-13(2,3)11-15(7-10(17)8-15)9-16(11)12(18)19-14(4,5)6/h10-11,17H,7-9H2,1-6H3
InChIKeyMTITVEUJPOIAKS-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.79
Rot. Bonds

About tert-butyl 3-tert-butyl-6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate

tert-butyl 3-tert-butyl-6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate (PubChem CID 141475764) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is tert-butyl 3-tert-butyl-6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-tert-butyl-6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate
PubChem CID141475764
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nametert-butyl 3-tert-butyl-6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CC(O)C2)C1C(C)(C)C
InChIInChI=1S/C15H27NO3/c1-13(2,3)11-15(7-10(17)8-15)9-16(11)12(18)19-14(4,5)6/h10-11,17H,7-9H2,1-6H3
InChIKeyMTITVEUJPOIAKS-UHFFFAOYSA-N
XLogP2.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-tert-butyl-4,4-difluoropyrrolidine-1-carboxylate
CID 58395160
tert-butyl (2S)-2-ethynyl-4,4-difluoropyrrolidine-1-carboxylate
CID 165431148
tert-butyl (2R)-2-ethynyl-4,4-difluoropyrrolidine-1-carboxylate
CID 163224641
tert-butyl 2-cyano-4,4-difluoropyrrolidine-1-carboxylate
CID 74349844
tert-butyl 2-acetyl-4,4-dimethylpyrrolidine-1-carboxylate
CID 76789699
tert-butyl (4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate;carbon dioxide
CID 159053694
tert-butyl 2-amino-5-azaspiro[2.3]hexane-5-carboxylate
CID 83831540
tert-butyl 7-hydroxy-2,5-diazaspiro[3.4]octane-2-carboxylate
CID 155820592
tert-butyl (2S,4S)-2,4-dimethylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-hydroxy-2-methylpyrrolidine-1-carboxylate
CID 165101492
tert-butyl 2-tert-butyl-5,5-difluoropiperidine-1-carboxylate
CID 168743098
tert-butyl 2-(aminomethyl)-4,4-difluoropyrrolidine-1-carboxylate
CID 122411574
tert-butyl 1-hydroxy-2-azaspiro[4.4]non-7-ene-2-carboxylate
CID 142283512

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-tert-butyl-6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate?
The IUPAC name of tert-butyl 3-tert-butyl-6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate (CID 141475764) is tert-butyl 3-tert-butyl-6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate.
What is the SMILES notation for tert-butyl 3-tert-butyl-6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate?
The canonical SMILES for tert-butyl 3-tert-butyl-6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(CC(O)C2)C1C(C)(C)C.
What is the InChIKey of tert-butyl 3-tert-butyl-6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate?
The InChIKey is MTITVEUJPOIAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-13(2,3)11-15(7-10(17)8-15)9-16(11)12(18)19-14(4,5)6/h10-11,17H,7-9H2,1-6H3.
What are the key properties of tert-butyl 3-tert-butyl-6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate?
tert-butyl 3-tert-butyl-6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 2.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-tert-butyl-6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate is sourced from PubChem (CID 141475764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).