2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C9H13F3N2O5 — CID 79257793

IUPAC2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOC(=O)CN(C)C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H13F3N2O5/c1-13(4-7(17)19-2)8(18)14(3-6(15)16)5-9(10,11)12/h3-5H2,1-2H3,(H,15,16)
InChIKeyHLYGWBONURXIHZ-UHFFFAOYSA-N
MW286.21 g/mol
LogP0.16
Rot. Bonds5

About 2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79257793) has the molecular formula C9H13F3N2O5 and a molecular weight of 286.21 g/mol. Its IUPAC name is 2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79257793
Molecular FormulaC9H13F3N2O5
Molecular Weight286.21 g/mol
Exact Mass286.08
IUPAC Name2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOC(=O)CN(C)C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H13F3N2O5/c1-13(4-7(17)19-2)8(18)14(3-6(15)16)5-9(10,11)12/h3-5H2,1-2H3,(H,15,16)
InChIKeyHLYGWBONURXIHZ-UHFFFAOYSA-N
XLogP0.16
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79257793) is 2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid is COC(=O)CN(C)C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is HLYGWBONURXIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O5/c1-13(4-7(17)19-2)8(18)14(3-6(15)16)5-9(10,11)12/h3-5H2,1-2H3,(H,15,16).
What are the key properties of 2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 286.21 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79257793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).