6-O-tert-butyl 2-O-methyl 2-fluoro-6-azaspiro[3.5]nonane-2,6-dicarboxylate

C15H24FNO4 — CID 177329745

IUPAC6-O-tert-butyl 2-O-methyl 2-fluoro-6-azaspiro[3.5]nonane-2,6-dicarboxylate
SMILESCOC(=O)C1(F)CC2(CCCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C15H24FNO4/c1-13(2,3)21-12(19)17-7-5-6-14(10-17)8-15(16,9-14)11(18)20-4/h5-10H2,1-4H3
InChIKeyYUEMAEBSMQMGCW-UHFFFAOYSA-N
MW301.36 g/mol
LogP2.68
Rot. Bonds1

About 6-O-tert-butyl 2-O-methyl 2-fluoro-6-azaspiro[3.5]nonane-2,6-dicarboxylate

6-O-tert-butyl 2-O-methyl 2-fluoro-6-azaspiro[3.5]nonane-2,6-dicarboxylate (PubChem CID 177329745) has the molecular formula C15H24FNO4 and a molecular weight of 301.36 g/mol. Its IUPAC name is 6-O-tert-butyl 2-O-methyl 2-fluoro-6-azaspiro[3.5]nonane-2,6-dicarboxylate.

Molecular Properties

Compound Name6-O-tert-butyl 2-O-methyl 2-fluoro-6-azaspiro[3.5]nonane-2,6-dicarboxylate
PubChem CID177329745
Molecular FormulaC15H24FNO4
Molecular Weight301.36 g/mol
Exact Mass301.17
IUPAC Name6-O-tert-butyl 2-O-methyl 2-fluoro-6-azaspiro[3.5]nonane-2,6-dicarboxylate
SMILESCOC(=O)C1(F)CC2(CCCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C15H24FNO4/c1-13(2,3)21-12(19)17-7-5-6-14(10-17)8-15(16,9-14)11(18)20-4/h5-10H2,1-4H3
InChIKeyYUEMAEBSMQMGCW-UHFFFAOYSA-N
XLogP2.68
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-O-tert-butyl 3-O-methyl (3R)-3-fluoropyrrolidine-1,3-dicarboxylate
CID 86685754
1-O-tert-butyl 3-O-methyl (3S)-3-methylpiperidine-1,3-dicarboxylate
CID 86307189
1-O-tert-butyl 4-O-methyl 4-fluoropiperidine-1,4-dicarboxylate
CID 67487447
1-O-tert-butyl 4-O-methyl 3,3-difluoro-4-methylpiperidine-1,4-dicarboxylate
CID 84815102
2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[5.5]undecane-9-carboxylate
CID 71773048
1-O-tert-butyl 3-O-ethyl (3R)-3-fluoropiperidine-1,3-dicarboxylate
CID 86334070
6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylate
CID 91927722
tert-butyl 3,3-difluoroazepane-1-carboxylate
CID 67979523
1-O-tert-butyl 3-O-methyl 3-prop-2-enylpiperidine-1,3-dicarboxylate
CID 67479344
tert-butyl (3S)-3-(cyclopropylamino)-3-methylpiperidine-1-carboxylate
CID 97171663
5-O-tert-butyl 2-O-methyl 2-amino-5-azaspiro[2.4]heptane-2,5-dicarboxylate
CID 84712725
tert-butyl (3S)-3-chloro-3-methylpiperidine-1-carboxylate
CID 97171665

Frequently Asked Questions

What is the IUPAC name of 6-O-tert-butyl 2-O-methyl 2-fluoro-6-azaspiro[3.5]nonane-2,6-dicarboxylate?
The IUPAC name of 6-O-tert-butyl 2-O-methyl 2-fluoro-6-azaspiro[3.5]nonane-2,6-dicarboxylate (CID 177329745) is 6-O-tert-butyl 2-O-methyl 2-fluoro-6-azaspiro[3.5]nonane-2,6-dicarboxylate.
What is the SMILES notation for 6-O-tert-butyl 2-O-methyl 2-fluoro-6-azaspiro[3.5]nonane-2,6-dicarboxylate?
The canonical SMILES for 6-O-tert-butyl 2-O-methyl 2-fluoro-6-azaspiro[3.5]nonane-2,6-dicarboxylate is COC(=O)C1(F)CC2(CCCN(C(=O)OC(C)(C)C)C2)C1.
What is the InChIKey of 6-O-tert-butyl 2-O-methyl 2-fluoro-6-azaspiro[3.5]nonane-2,6-dicarboxylate?
The InChIKey is YUEMAEBSMQMGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO4/c1-13(2,3)21-12(19)17-7-5-6-14(10-17)8-15(16,9-14)11(18)20-4/h5-10H2,1-4H3.
What are the key properties of 6-O-tert-butyl 2-O-methyl 2-fluoro-6-azaspiro[3.5]nonane-2,6-dicarboxylate?
6-O-tert-butyl 2-O-methyl 2-fluoro-6-azaspiro[3.5]nonane-2,6-dicarboxylate has a molecular weight of 301.36 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-O-tert-butyl 2-O-methyl 2-fluoro-6-azaspiro[3.5]nonane-2,6-dicarboxylate is sourced from PubChem (CID 177329745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).