2-[prop-2-enyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid

C9H12F3NO4 — CID 103206110

IUPAC2-[prop-2-enyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)COCC(F)(F)F
InChIInChI=1S/C9H12F3NO4/c1-2-3-13(4-8(15)16)7(14)5-17-6-9(10,11)12/h2H,1,3-6H2,(H,15,16)
InChIKeyGVYKWORJLDZJHA-UHFFFAOYSA-N
MW255.19 g/mol
LogP0.66
Rot. Bonds7

About 2-[prop-2-enyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid

2-[prop-2-enyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid (PubChem CID 103206110) has the molecular formula C9H12F3NO4 and a molecular weight of 255.19 g/mol. Its IUPAC name is 2-[prop-2-enyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[prop-2-enyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid
PubChem CID103206110
Molecular FormulaC9H12F3NO4
Molecular Weight255.19 g/mol
Exact Mass255.07
IUPAC Name2-[prop-2-enyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)COCC(F)(F)F
InChIInChI=1S/C9H12F3NO4/c1-2-3-13(4-8(15)16)7(14)5-17-6-9(10,11)12/h2H,1,3-6H2,(H,15,16)
InChIKeyGVYKWORJLDZJHA-UHFFFAOYSA-N
XLogP0.66
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[prop-2-enyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid?
The IUPAC name of 2-[prop-2-enyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid (CID 103206110) is 2-[prop-2-enyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[prop-2-enyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid?
The canonical SMILES for 2-[prop-2-enyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid is C=CCN(CC(=O)O)C(=O)COCC(F)(F)F.
What is the InChIKey of 2-[prop-2-enyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid?
The InChIKey is GVYKWORJLDZJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO4/c1-2-3-13(4-8(15)16)7(14)5-17-6-9(10,11)12/h2H,1,3-6H2,(H,15,16).
What are the key properties of 2-[prop-2-enyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid?
2-[prop-2-enyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid has a molecular weight of 255.19 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-2-enyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid is sourced from PubChem (CID 103206110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).