methyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate;3,3,3-trifluoropropanoic acid

C14H21F3N2O5 — CID 86662292

IUPACmethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate;3,3,3-trifluoropropanoic acid
SMILESCOC(=O)CN1CC2(CCNCC2)CC1=O.O=C(O)CC(F)(F)F
InChIInChI=1S/C11H18N2O3.C3H3F3O2/c1-16-10(15)7-13-8-11(6-9(13)14)2-4-12-5-3-11;4-3(5,6)1-2(7)8/h12H,2-8H2,1H3;1H2,(H,7,8)
InChIKeyPSPTVUMSRYDDIX-UHFFFAOYSA-N
MW354.33 g/mol
LogP0.78
Rot. Bonds3

About methyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate;3,3,3-trifluoropropanoic acid

methyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate;3,3,3-trifluoropropanoic acid (PubChem CID 86662292) has the molecular formula C14H21F3N2O5 and a molecular weight of 354.33 g/mol. Its IUPAC name is methyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate;3,3,3-trifluoropropanoic acid.

Molecular Properties

Compound Namemethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate;3,3,3-trifluoropropanoic acid
PubChem CID86662292
Molecular FormulaC14H21F3N2O5
Molecular Weight354.33 g/mol
Exact Mass354.14
IUPAC Namemethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate;3,3,3-trifluoropropanoic acid
SMILESCOC(=O)CN1CC2(CCNCC2)CC1=O.O=C(O)CC(F)(F)F
InChIInChI=1S/C11H18N2O3.C3H3F3O2/c1-16-10(15)7-13-8-11(6-9(13)14)2-4-12-5-3-11;4-3(5,6)1-2(7)8/h12H,2-8H2,1H3;1H2,(H,7,8)
InChIKeyPSPTVUMSRYDDIX-UHFFFAOYSA-N
XLogP0.78
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate;3,3,3-trifluoropropanoic acid with MolForge

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Related Compounds

Acetic acid;trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoate
CID 66644799
2-(3-Oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoic acid;3,3,3-trifluoropropanoic acid
CID 66644801
Acetic acid;trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate
CID 68761549
2-(3-Oxo-2,8-diazaspiro[4.5]decan-2-yl)acetic acid;3,3,3-trifluoropropanoic acid
CID 68761551
Methyl 3,3,3-trifluoro-2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoate
CID 91275869
Ethane;methyl 2-[[1-(2,2-difluoroethyl)-4-(trifluoromethyl)piperidine-4-carbonyl]amino]acetate
CID 170587441
Methyl 2-[[1-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)piperidine-4-carbonyl]amino]acetate
CID 170587448
Trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoate
CID 66644800
Trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate
CID 68761550
2-[(4-Ethylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258002
2-[(4-Methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258755
2-[(4-Propylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79262224

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate;3,3,3-trifluoropropanoic acid?
The IUPAC name of methyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate;3,3,3-trifluoropropanoic acid (CID 86662292) is methyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate;3,3,3-trifluoropropanoic acid.
What is the SMILES notation for methyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate;3,3,3-trifluoropropanoic acid?
The canonical SMILES for methyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate;3,3,3-trifluoropropanoic acid is COC(=O)CN1CC2(CCNCC2)CC1=O.O=C(O)CC(F)(F)F.
What is the InChIKey of methyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate;3,3,3-trifluoropropanoic acid?
The InChIKey is PSPTVUMSRYDDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3.C3H3F3O2/c1-16-10(15)7-13-8-11(6-9(13)14)2-4-12-5-3-11;4-3(5,6)1-2(7)8/h12H,2-8H2,1H3;1H2,(H,7,8).
What are the key properties of methyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate;3,3,3-trifluoropropanoic acid?
methyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate;3,3,3-trifluoropropanoic acid has a molecular weight of 354.33 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate;3,3,3-trifluoropropanoic acid is sourced from PubChem (CID 86662292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).