2-[(5R)-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid;trifluoromethyl acetate

C13H19F3N2O5 — CID 143249439

IUPAC2-[(5R)-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid;trifluoromethyl acetate
SMILESCC(=O)OC(F)(F)F.O=C(O)CN1CCC[C@]2(CCCN2)C1=O
InChIInChI=1S/C10H16N2O3.C3H3F3O2/c13-8(14)7-12-6-2-4-10(9(12)15)3-1-5-11-10;1-2(7)8-3(4,5)6/h11H,1-7H2,(H,13,14);1H3/t10-;/m1./s1
InChIKeySULQARNXOLDJCG-HNCPQSOCSA-N
MW340.30 g/mol
LogP0.88
Rot. Bonds2

About 2-[(5R)-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid;trifluoromethyl acetate

2-[(5R)-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid;trifluoromethyl acetate (PubChem CID 143249439) has the molecular formula C13H19F3N2O5 and a molecular weight of 340.30 g/mol. Its IUPAC name is 2-[(5R)-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid;trifluoromethyl acetate.

Molecular Properties

Compound Name2-[(5R)-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid;trifluoromethyl acetate
PubChem CID143249439
Molecular FormulaC13H19F3N2O5
Molecular Weight340.30 g/mol
Exact Mass340.12
IUPAC Name2-[(5R)-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid;trifluoromethyl acetate
SMILESCC(=O)OC(F)(F)F.O=C(O)CN1CCC[C@]2(CCCN2)C1=O
InChIInChI=1S/C10H16N2O3.C3H3F3O2/c13-8(14)7-12-6-2-4-10(9(12)15)3-1-5-11-10;1-2(7)8-3(4,5)6/h11H,1-7H2,(H,13,14);1H3/t10-;/m1./s1
InChIKeySULQARNXOLDJCG-HNCPQSOCSA-N
XLogP0.88
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid;trifluoromethyl acetate?
The IUPAC name of 2-[(5R)-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid;trifluoromethyl acetate (CID 143249439) is 2-[(5R)-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid;trifluoromethyl acetate.
What is the SMILES notation for 2-[(5R)-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid;trifluoromethyl acetate?
The canonical SMILES for 2-[(5R)-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid;trifluoromethyl acetate is CC(=O)OC(F)(F)F.O=C(O)CN1CCC[C@]2(CCCN2)C1=O.
What is the InChIKey of 2-[(5R)-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid;trifluoromethyl acetate?
The InChIKey is SULQARNXOLDJCG-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H16N2O3.C3H3F3O2/c13-8(14)7-12-6-2-4-10(9(12)15)3-1-5-11-10;1-2(7)8-3(4,5)6/h11H,1-7H2,(H,13,14);1H3/t10-;/m1./s1.
What are the key properties of 2-[(5R)-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid;trifluoromethyl acetate?
2-[(5R)-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid;trifluoromethyl acetate has a molecular weight of 340.30 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid;trifluoromethyl acetate is sourced from PubChem (CID 143249439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).