[(2S)-2-amino-3-[(2S)-2-amino-3-hydroxypropoxy]propyl] 2,2,2-trifluoroacetate

C8H15F3N2O4 — CID 21309592

IUPAC[(2S)-2-amino-3-[(2S)-2-amino-3-hydroxypropoxy]propyl] 2,2,2-trifluoroacetate
SMILESN[C@@H](CO)COC[C@H](N)COC(=O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O4/c9-8(10,11)7(15)17-4-6(13)3-16-2-5(12)1-14/h5-6,14H,1-4,12-13H2/t5-,6-/m0/s1
InChIKeyVAAPMQJMJXANBQ-WDSKDSINSA-N
MW260.21 g/mol
LogP-1.24
Rot. Bonds7

About [(2S)-2-amino-3-[(2S)-2-amino-3-hydroxypropoxy]propyl] 2,2,2-trifluoroacetate

[(2S)-2-amino-3-[(2S)-2-amino-3-hydroxypropoxy]propyl] 2,2,2-trifluoroacetate (PubChem CID 21309592) has the molecular formula C8H15F3N2O4 and a molecular weight of 260.21 g/mol. Its IUPAC name is [(2S)-2-amino-3-[(2S)-2-amino-3-hydroxypropoxy]propyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(2S)-2-amino-3-[(2S)-2-amino-3-hydroxypropoxy]propyl] 2,2,2-trifluoroacetate
PubChem CID21309592
Molecular FormulaC8H15F3N2O4
Molecular Weight260.21 g/mol
Exact Mass260.10
IUPAC Name[(2S)-2-amino-3-[(2S)-2-amino-3-hydroxypropoxy]propyl] 2,2,2-trifluoroacetate
SMILESN[C@@H](CO)COC[C@H](N)COC(=O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O4/c9-8(10,11)7(15)17-4-6(13)3-16-2-5(12)1-14/h5-6,14H,1-4,12-13H2/t5-,6-/m0/s1
InChIKeyVAAPMQJMJXANBQ-WDSKDSINSA-N
XLogP-1.24
TPSA107.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [(2S)-2-amino-3-[(2S)-2-amino-3-hydroxypropoxy]propyl] 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

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-amino-3-[(2S)-2-amino-3-hydroxypropoxy]propyl] 2,2,2-trifluoroacetate?
The IUPAC name of [(2S)-2-amino-3-[(2S)-2-amino-3-hydroxypropoxy]propyl] 2,2,2-trifluoroacetate (CID 21309592) is [(2S)-2-amino-3-[(2S)-2-amino-3-hydroxypropoxy]propyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [(2S)-2-amino-3-[(2S)-2-amino-3-hydroxypropoxy]propyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [(2S)-2-amino-3-[(2S)-2-amino-3-hydroxypropoxy]propyl] 2,2,2-trifluoroacetate is N[C@@H](CO)COC[C@H](N)COC(=O)C(F)(F)F.
What is the InChIKey of [(2S)-2-amino-3-[(2S)-2-amino-3-hydroxypropoxy]propyl] 2,2,2-trifluoroacetate?
The InChIKey is VAAPMQJMJXANBQ-WDSKDSINSA-N. The full InChI is InChI=1S/C8H15F3N2O4/c9-8(10,11)7(15)17-4-6(13)3-16-2-5(12)1-14/h5-6,14H,1-4,12-13H2/t5-,6-/m0/s1.
What are the key properties of [(2S)-2-amino-3-[(2S)-2-amino-3-hydroxypropoxy]propyl] 2,2,2-trifluoroacetate?
[(2S)-2-amino-3-[(2S)-2-amino-3-hydroxypropoxy]propyl] 2,2,2-trifluoroacetate has a molecular weight of 260.21 g/mol, XLogP of -1.24, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-amino-3-[(2S)-2-amino-3-hydroxypropoxy]propyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 21309592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).