2-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethoxy]acetic acid

C9H14F3NO4 — CID 61326913

IUPAC2-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethoxy]acetic acid
SMILESCC(C)N(CC(F)(F)F)C(=O)COCC(=O)O
InChIInChI=1S/C9H14F3NO4/c1-6(2)13(5-9(10,11)12)7(14)3-17-4-8(15)16/h6H,3-5H2,1-2H3,(H,15,16)
InChIKeyNFORIGUDUMCOEC-UHFFFAOYSA-N
MW257.21 g/mol
LogP0.89
Rot. Bonds6

About 2-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethoxy]acetic acid

2-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethoxy]acetic acid (PubChem CID 61326913) has the molecular formula C9H14F3NO4 and a molecular weight of 257.21 g/mol. Its IUPAC name is 2-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethoxy]acetic acid
PubChem CID61326913
Molecular FormulaC9H14F3NO4
Molecular Weight257.21 g/mol
Exact Mass257.09
IUPAC Name2-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethoxy]acetic acid
SMILESCC(C)N(CC(F)(F)F)C(=O)COCC(=O)O
InChIInChI=1S/C9H14F3NO4/c1-6(2)13(5-9(10,11)12)7(14)3-17-4-8(15)16/h6H,3-5H2,1-2H3,(H,15,16)
InChIKeyNFORIGUDUMCOEC-UHFFFAOYSA-N
XLogP0.89
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethoxy]acetic acid (CID 61326913) is 2-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethoxy]acetic acid is CC(C)N(CC(F)(F)F)C(=O)COCC(=O)O.
What is the InChIKey of 2-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethoxy]acetic acid?
The InChIKey is NFORIGUDUMCOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO4/c1-6(2)13(5-9(10,11)12)7(14)3-17-4-8(15)16/h6H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethoxy]acetic acid?
2-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethoxy]acetic acid has a molecular weight of 257.21 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 61326913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).