2-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C9H11F3N2O5 — CID 79258592

IUPAC2-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)N1CCOC1=O)CC(F)(F)F
InChIInChI=1S/C9H11F3N2O5/c10-9(11,12)5-13(4-7(16)17)3-6(15)14-1-2-19-8(14)18/h1-5H2,(H,16,17)
InChIKeyAQXFXORLZBASEB-UHFFFAOYSA-N
MW284.19 g/mol
LogP-0.09
Rot. Bonds5

About 2-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258592) has the molecular formula C9H11F3N2O5 and a molecular weight of 284.19 g/mol. Its IUPAC name is 2-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258592
Molecular FormulaC9H11F3N2O5
Molecular Weight284.19 g/mol
Exact Mass284.06
IUPAC Name2-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)N1CCOC1=O)CC(F)(F)F
InChIInChI=1S/C9H11F3N2O5/c10-9(11,12)5-13(4-7(16)17)3-6(15)14-1-2-19-8(14)18/h1-5H2,(H,16,17)
InChIKeyAQXFXORLZBASEB-UHFFFAOYSA-N
XLogP-0.09
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258592) is 2-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(=O)N1CCOC1=O)CC(F)(F)F.
What is the InChIKey of 2-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is AQXFXORLZBASEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O5/c10-9(11,12)5-13(4-7(16)17)3-6(15)14-1-2-19-8(14)18/h1-5H2,(H,16,17).
What are the key properties of 2-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 284.19 g/mol, XLogP of -0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).