[3-[(2-aminoacetyl)amino]propyl-triphenyl-λ5-phosphanyl] 2,2,2-trifluoroacetate

C25H26F3N2O3P — CID 140698653

IUPAC[3-[(2-aminoacetyl)amino]propyl-triphenyl-λ5-phosphanyl] 2,2,2-trifluoroacetate
SMILESNCC(=O)NCCCP(OC(=O)C(F)(F)F)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26F3N2O3P/c26-25(27,28)24(32)33-34(20-11-4-1-5-12-20,21-13-6-2-7-14-21,22-15-8-3-9-16-22)18-10-17-30-23(31)19-29/h1-9,11-16H,10,17-19,29H2,(H,30,31)
InChIKeyGIQZYOHBGCPUAE-UHFFFAOYSA-N
MW490.46 g/mol
LogP3.00
Rot. Bonds9

About [3-[(2-aminoacetyl)amino]propyl-triphenyl-λ5-phosphanyl] 2,2,2-trifluoroacetate

[3-[(2-aminoacetyl)amino]propyl-triphenyl-λ5-phosphanyl] 2,2,2-trifluoroacetate (PubChem CID 140698653) has the molecular formula C25H26F3N2O3P and a molecular weight of 490.46 g/mol. Its IUPAC name is [3-[(2-aminoacetyl)amino]propyl-triphenyl-λ5-phosphanyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[3-[(2-aminoacetyl)amino]propyl-triphenyl-λ5-phosphanyl] 2,2,2-trifluoroacetate
PubChem CID140698653
Molecular FormulaC25H26F3N2O3P
Molecular Weight490.46 g/mol
Exact Mass490.16
IUPAC Name[3-[(2-aminoacetyl)amino]propyl-triphenyl-λ5-phosphanyl] 2,2,2-trifluoroacetate
SMILESNCC(=O)NCCCP(OC(=O)C(F)(F)F)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26F3N2O3P/c26-25(27,28)24(32)33-34(20-11-4-1-5-12-20,21-13-6-2-7-14-21,22-15-8-3-9-16-22)18-10-17-30-23(31)19-29/h1-9,11-16H,10,17-19,29H2,(H,30,31)
InChIKeyGIQZYOHBGCPUAE-UHFFFAOYSA-N
XLogP3.00
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.46
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [3-[(2-aminoacetyl)amino]propyl-triphenyl-λ5-phosphanyl] 2,2,2-trifluoroacetate with MolForge

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

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N-[2-[(triphenyl-lambda5-phosphanylidene)amino]ethyl]acetamide
CID 15579705
N2-[ammonio(imino)methyl]-N2-methyl-N-[3-(triphenylphosphonio)propyl]glycinamide bis(trifluoroacetate)
CID 71534816
3-[[2-(Dimethylamino)-2-oxoethyl]amino]propyl-triphenylphosphanium;2,2,2-trifluoroacetic acid
CID 89462811
3-[[2-(Dimethylamino)acetyl]amino]propyl-triphenylphosphanium;2,2,2-trifluoroacetate
CID 89462839
3-[[2-(Dimethylamino)-2-oxoethyl]amino]propyl-triphenylphosphanium;2,2,2-trifluoroacetate
CID 89462842
N,N2-dimethyl-N-[3-(triphenylphosphonio)propyl]-glycinamide trifluoroacetate
CID 131736997
Diaminomethylidene-methyl-[2-[methyl-[3-[triphenyl-(2,2,2-trifluoroacetyl)oxy-lambda5-phosphanyl]propyl]amino]-2-oxoethyl]azanium;2,2,2-trifluoroacetate
CID 140662757
[3-[Methyl-[2-(methylamino)acetyl]amino]propyl-triphenyl-lambda5-phosphanyl] 2,2,2-trifluoroacetate
CID 140662777
[3-[(2-Aminoacetyl)amino]propyl-triphenyl-lambda5-phosphanyl] 2,2,2-trifluoroacetate
CID 140698652
6-[Triphenyl-(2,2,2-trifluoroacetyl)oxy-lambda5-phosphanyl]hexylcarbamic acid
CID 142458590
10-[Triphenyl-(2,2,2-trifluoroacetyl)oxy-lambda5-phosphanyl]decylcarbamic acid
CID 142458592
8-[Triphenyl-(2,2,2-trifluoroacetyl)oxy-lambda5-phosphanyl]octylcarbamic acid
CID 142458606

Frequently Asked Questions

What is the IUPAC name of [3-[(2-aminoacetyl)amino]propyl-triphenyl-λ5-phosphanyl] 2,2,2-trifluoroacetate?
The IUPAC name of [3-[(2-aminoacetyl)amino]propyl-triphenyl-λ5-phosphanyl] 2,2,2-trifluoroacetate (CID 140698653) is [3-[(2-aminoacetyl)amino]propyl-triphenyl-λ5-phosphanyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [3-[(2-aminoacetyl)amino]propyl-triphenyl-λ5-phosphanyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [3-[(2-aminoacetyl)amino]propyl-triphenyl-λ5-phosphanyl] 2,2,2-trifluoroacetate is NCC(=O)NCCCP(OC(=O)C(F)(F)F)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [3-[(2-aminoacetyl)amino]propyl-triphenyl-λ5-phosphanyl] 2,2,2-trifluoroacetate?
The InChIKey is GIQZYOHBGCPUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N2O3P/c26-25(27,28)24(32)33-34(20-11-4-1-5-12-20,21-13-6-2-7-14-21,22-15-8-3-9-16-22)18-10-17-30-23(31)19-29/h1-9,11-16H,10,17-19,29H2,(H,30,31).
What are the key properties of [3-[(2-aminoacetyl)amino]propyl-triphenyl-λ5-phosphanyl] 2,2,2-trifluoroacetate?
[3-[(2-aminoacetyl)amino]propyl-triphenyl-λ5-phosphanyl] 2,2,2-trifluoroacetate has a molecular weight of 490.46 g/mol, XLogP of 3.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-aminoacetyl)amino]propyl-triphenyl-λ5-phosphanyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 140698653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).