methyl 2,6-diazaspiro[3.4]octane-6-carboxylate;2,2,2-trifluoroacetic acid

C10H15F3N2O4 — CID 175936629

IUPACmethyl 2,6-diazaspiro[3.4]octane-6-carboxylate;2,2,2-trifluoroacetic acid
SMILESCOC(=O)N1CCC2(CNC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H14N2O2.C2HF3O2/c1-12-7(11)10-3-2-8(6-10)4-9-5-8;3-2(4,5)1(6)7/h9H,2-6H2,1H3;(H,6,7)
InChIKeyWAVGWUCTVMAUAE-UHFFFAOYSA-N
MW284.23 g/mol
LogP0.68
Rot. Bonds

About methyl 2,6-diazaspiro[3.4]octane-6-carboxylate;2,2,2-trifluoroacetic acid

methyl 2,6-diazaspiro[3.4]octane-6-carboxylate;2,2,2-trifluoroacetic acid (PubChem CID 175936629) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is methyl 2,6-diazaspiro[3.4]octane-6-carboxylate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namemethyl 2,6-diazaspiro[3.4]octane-6-carboxylate;2,2,2-trifluoroacetic acid
PubChem CID175936629
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Namemethyl 2,6-diazaspiro[3.4]octane-6-carboxylate;2,2,2-trifluoroacetic acid
SMILESCOC(=O)N1CCC2(CNC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H14N2O2.C2HF3O2/c1-12-7(11)10-3-2-8(6-10)4-9-5-8;3-2(4,5)1(6)7/h9H,2-6H2,1H3;(H,6,7)
InChIKeyWAVGWUCTVMAUAE-UHFFFAOYSA-N
XLogP0.68
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2,6-diazaspiro[3.4]octane-6-carboxylate;2,2,2-trifluoroacetic acid?
The IUPAC name of methyl 2,6-diazaspiro[3.4]octane-6-carboxylate;2,2,2-trifluoroacetic acid (CID 175936629) is methyl 2,6-diazaspiro[3.4]octane-6-carboxylate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for methyl 2,6-diazaspiro[3.4]octane-6-carboxylate;2,2,2-trifluoroacetic acid?
The canonical SMILES for methyl 2,6-diazaspiro[3.4]octane-6-carboxylate;2,2,2-trifluoroacetic acid is COC(=O)N1CCC2(CNC2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of methyl 2,6-diazaspiro[3.4]octane-6-carboxylate;2,2,2-trifluoroacetic acid?
The InChIKey is WAVGWUCTVMAUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2.C2HF3O2/c1-12-7(11)10-3-2-8(6-10)4-9-5-8;3-2(4,5)1(6)7/h9H,2-6H2,1H3;(H,6,7).
What are the key properties of methyl 2,6-diazaspiro[3.4]octane-6-carboxylate;2,2,2-trifluoroacetic acid?
methyl 2,6-diazaspiro[3.4]octane-6-carboxylate;2,2,2-trifluoroacetic acid has a molecular weight of 284.23 g/mol, XLogP of 0.68, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-diazaspiro[3.4]octane-6-carboxylate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175936629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).