2-[[2-(3,3,3-trifluoropropanoylamino)acetyl]amino]acetic acid

C7H9F3N2O4 — CID 43465587

IUPAC2-[[2-(3,3,3-trifluoropropanoylamino)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)CC(F)(F)F
InChIInChI=1S/C7H9F3N2O4/c8-7(9,10)1-4(13)11-2-5(14)12-3-6(15)16/h1-3H2,(H,11,13)(H,12,14)(H,15,16)
InChIKeyZZLAYUSVAHIWLF-UHFFFAOYSA-N
MW242.15 g/mol
LogP-0.74
Rot. Bonds5

About 2-[[2-(3,3,3-trifluoropropanoylamino)acetyl]amino]acetic acid

2-[[2-(3,3,3-trifluoropropanoylamino)acetyl]amino]acetic acid (PubChem CID 43465587) has the molecular formula C7H9F3N2O4 and a molecular weight of 242.15 g/mol. Its IUPAC name is 2-[[2-(3,3,3-trifluoropropanoylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3,3,3-trifluoropropanoylamino)acetyl]amino]acetic acid
PubChem CID43465587
Molecular FormulaC7H9F3N2O4
Molecular Weight242.15 g/mol
Exact Mass242.05
IUPAC Name2-[[2-(3,3,3-trifluoropropanoylamino)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)CC(F)(F)F
InChIInChI=1S/C7H9F3N2O4/c8-7(9,10)1-4(13)11-2-5(14)12-3-6(15)16/h1-3H2,(H,11,13)(H,12,14)(H,15,16)
InChIKeyZZLAYUSVAHIWLF-UHFFFAOYSA-N
XLogP-0.74
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.15
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(3,3,3-trifluoropropanoylamino)acetyl]amino]acetic 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-[[2-(3,3,3-trifluoropropanoylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(3,3,3-trifluoropropanoylamino)acetyl]amino]acetic acid (CID 43465587) is 2-[[2-(3,3,3-trifluoropropanoylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(3,3,3-trifluoropropanoylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(3,3,3-trifluoropropanoylamino)acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)CC(F)(F)F.
What is the InChIKey of 2-[[2-(3,3,3-trifluoropropanoylamino)acetyl]amino]acetic acid?
The InChIKey is ZZLAYUSVAHIWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O4/c8-7(9,10)1-4(13)11-2-5(14)12-3-6(15)16/h1-3H2,(H,11,13)(H,12,14)(H,15,16).
What are the key properties of 2-[[2-(3,3,3-trifluoropropanoylamino)acetyl]amino]acetic acid?
2-[[2-(3,3,3-trifluoropropanoylamino)acetyl]amino]acetic acid has a molecular weight of 242.15 g/mol, XLogP of -0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,3,3-trifluoropropanoylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 43465587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).