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

C8H11F3N2O5 — CID 79258950

IUPAC2-[(2-methoxy-2-oxoethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOC(=O)CNC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C8H11F3N2O5/c1-18-6(16)2-12-7(17)13(3-5(14)15)4-8(9,10)11/h2-4H2,1H3,(H,12,17)(H,14,15)
InChIKeyUBVCOSYTGYLPNZ-UHFFFAOYSA-N
MW272.18 g/mol
LogP-0.18
Rot. Bonds5

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

2-[(2-methoxy-2-oxoethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258950) has the molecular formula C8H11F3N2O5 and a molecular weight of 272.18 g/mol. Its IUPAC name is 2-[(2-methoxy-2-oxoethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methoxy-2-oxoethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258950
Molecular FormulaC8H11F3N2O5
Molecular Weight272.18 g/mol
Exact Mass272.06
IUPAC Name2-[(2-methoxy-2-oxoethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOC(=O)CNC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C8H11F3N2O5/c1-18-6(16)2-12-7(17)13(3-5(14)15)4-8(9,10)11/h2-4H2,1H3,(H,12,17)(H,14,15)
InChIKeyUBVCOSYTGYLPNZ-UHFFFAOYSA-N
XLogP-0.18
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methoxy-2-oxoethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid with MolForge

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Related Compounds

2-[2,2,2-trifluoroethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
CID 79266783
2-[2-(2-methoxyethoxy)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266737
2-[2,3-dimethylbutylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266291
2-[cyclopropylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258875
2-[2-ethoxyethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265881
2-[[2-(dimethylamino)-2-methylpropyl]carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266284
2-[pentylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258372
2-[(4-ethoxy-4-oxobutyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264664
2-[(2-methoxy-2-oxoethyl)carbamoyl-methylamino]acetic acid
CID 43135721
2-[3-(ethylamino)propylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265962
2-[2-(dimethylsulfamoyl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 106341305
2-[(2-methoxyacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79261024

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-2-oxoethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2-methoxy-2-oxoethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258950) is 2-[(2-methoxy-2-oxoethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-methoxy-2-oxoethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-methoxy-2-oxoethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid is COC(=O)CNC(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[(2-methoxy-2-oxoethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is UBVCOSYTGYLPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O5/c1-18-6(16)2-12-7(17)13(3-5(14)15)4-8(9,10)11/h2-4H2,1H3,(H,12,17)(H,14,15).
What are the key properties of 2-[(2-methoxy-2-oxoethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2-methoxy-2-oxoethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 272.18 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-2-oxoethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).