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

C14H21F3N2O5 — CID 66644801

IUPAC2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoic acid;3,3,3-trifluoropropanoic acid
SMILESCC(C(=O)O)N1CC2(CCNCC2)CC1=O.O=C(O)CC(F)(F)F
InChIInChI=1S/C11H18N2O3.C3H3F3O2/c1-8(10(15)16)13-7-11(6-9(13)14)2-4-12-5-3-11;4-3(5,6)1-2(7)8/h8,12H,2-7H2,1H3,(H,15,16);1H2,(H,7,8)
InChIKeyHAYPMIIBBNJUIV-UHFFFAOYSA-N
MW354.33 g/mol
LogP1.09
Rot. Bonds3

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

2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoic acid;3,3,3-trifluoropropanoic acid (PubChem CID 66644801) has the molecular formula C14H21F3N2O5 and a molecular weight of 354.33 g/mol. Its IUPAC name is 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoic acid;3,3,3-trifluoropropanoic acid.

Molecular Properties

Compound Name2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoic acid;3,3,3-trifluoropropanoic acid
PubChem CID66644801
Molecular FormulaC14H21F3N2O5
Molecular Weight354.33 g/mol
Exact Mass354.14
IUPAC Name2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoic acid;3,3,3-trifluoropropanoic acid
SMILESCC(C(=O)O)N1CC2(CCNCC2)CC1=O.O=C(O)CC(F)(F)F
InChIInChI=1S/C11H18N2O3.C3H3F3O2/c1-8(10(15)16)13-7-11(6-9(13)14)2-4-12-5-3-11;4-3(5,6)1-2(7)8/h8,12H,2-7H2,1H3,(H,15,16);1H2,(H,7,8)
InChIKeyHAYPMIIBBNJUIV-UHFFFAOYSA-N
XLogP1.09
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoic acid;3,3,3-trifluoropropanoic acid?
The IUPAC name of 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoic acid;3,3,3-trifluoropropanoic acid (CID 66644801) is 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoic acid;3,3,3-trifluoropropanoic acid.
What is the SMILES notation for 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoic acid;3,3,3-trifluoropropanoic acid?
The canonical SMILES for 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoic acid;3,3,3-trifluoropropanoic acid is CC(C(=O)O)N1CC2(CCNCC2)CC1=O.O=C(O)CC(F)(F)F.
What is the InChIKey of 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoic acid;3,3,3-trifluoropropanoic acid?
The InChIKey is HAYPMIIBBNJUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3.C3H3F3O2/c1-8(10(15)16)13-7-11(6-9(13)14)2-4-12-5-3-11;4-3(5,6)1-2(7)8/h8,12H,2-7H2,1H3,(H,15,16);1H2,(H,7,8).
What are the key properties of 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoic acid;3,3,3-trifluoropropanoic acid?
2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoic acid;3,3,3-trifluoropropanoic acid has a molecular weight of 354.33 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoic acid;3,3,3-trifluoropropanoic acid is sourced from PubChem (CID 66644801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).