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

C7H8F3NO3 — CID 79263032

IUPAC2-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO3/c1-2-3-11(4-5(12)13)6(14)7(8,9)10/h2H,1,3-4H2,(H,12,13)
InChIKeyBKWUBMHGTFTRMS-UHFFFAOYSA-N
MW211.14 g/mol
LogP0.65
Rot. Bonds4

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

2-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]acetic acid (PubChem CID 79263032) has the molecular formula C7H8F3NO3 and a molecular weight of 211.14 g/mol. Its IUPAC name is 2-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]acetic acid
PubChem CID79263032
Molecular FormulaC7H8F3NO3
Molecular Weight211.14 g/mol
Exact Mass211.05
IUPAC Name2-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO3/c1-2-3-11(4-5(12)13)6(14)7(8,9)10/h2H,1,3-4H2,(H,12,13)
InChIKeyBKWUBMHGTFTRMS-UHFFFAOYSA-N
XLogP0.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.14
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-trifluoroacetyl)amino]acetic acid?
The IUPAC name of 2-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]acetic acid (CID 79263032) is 2-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]acetic acid.
What is the SMILES notation for 2-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]acetic acid?
The canonical SMILES for 2-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]acetic acid is C=CCN(CC(=O)O)C(=O)C(F)(F)F.
What is the InChIKey of 2-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]acetic acid?
The InChIKey is BKWUBMHGTFTRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO3/c1-2-3-11(4-5(12)13)6(14)7(8,9)10/h2H,1,3-4H2,(H,12,13).
What are the key properties of 2-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]acetic acid?
2-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]acetic acid has a molecular weight of 211.14 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]acetic acid is sourced from PubChem (CID 79263032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).