2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetic acid;2,2,2-trifluoroacetic acid

C20H26F3N3O5 — CID 130200778

IUPAC2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetic acid;2,2,2-trifluoroacetic acid
SMILESCCNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)O)C(=O)N2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H25N3O3.C2HF3O2/c1-2-19-18(14-6-4-3-5-7-14)10-8-17(9-11-18)13-21(12-15(22)23)16(24)20-17;3-2(4,5)1(6)7/h3-7,19H,2,8-13H2,1H3,(H,20,24)(H,22,23);(H,6,7)
InChIKeyPPZBBZFNAGWOGB-UHFFFAOYSA-N
MW445.44 g/mol
LogP2.55
Rot. Bonds5

About 2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetic acid;2,2,2-trifluoroacetic acid

2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetic acid;2,2,2-trifluoroacetic acid (PubChem CID 130200778) has the molecular formula C20H26F3N3O5 and a molecular weight of 445.44 g/mol. Its IUPAC name is 2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetic acid;2,2,2-trifluoroacetic acid
PubChem CID130200778
Molecular FormulaC20H26F3N3O5
Molecular Weight445.44 g/mol
Exact Mass445.18
IUPAC Name2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetic acid;2,2,2-trifluoroacetic acid
SMILESCCNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)O)C(=O)N2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H25N3O3.C2HF3O2/c1-2-19-18(14-6-4-3-5-7-14)10-8-17(9-11-18)13-21(12-15(22)23)16(24)20-17;3-2(4,5)1(6)7/h3-7,19H,2,8-13H2,1H3,(H,20,24)(H,22,23);(H,6,7)
InChIKeyPPZBBZFNAGWOGB-UHFFFAOYSA-N
XLogP2.55
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetic acid;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetic acid;2,2,2-trifluoroacetic acid (CID 130200778) is 2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetic acid;2,2,2-trifluoroacetic acid is CCNC1(c2ccccc2)CCC2(CC1)CN(CC(=O)O)C(=O)N2.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetic acid;2,2,2-trifluoroacetic acid?
The InChIKey is PPZBBZFNAGWOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3.C2HF3O2/c1-2-19-18(14-6-4-3-5-7-14)10-8-17(9-11-18)13-21(12-15(22)23)16(24)20-17;3-2(4,5)1(6)7/h3-7,19H,2,8-13H2,1H3,(H,20,24)(H,22,23);(H,6,7).
What are the key properties of 2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetic acid;2,2,2-trifluoroacetic acid?
2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetic acid;2,2,2-trifluoroacetic acid has a molecular weight of 445.44 g/mol, XLogP of 2.55, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 130200778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).