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

C8H12F3N3O4 — CID 79258092

IUPAC2-[[2-(methylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCNC(=O)NC(=O)CN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C8H12F3N3O4/c1-12-7(18)13-5(15)2-14(3-6(16)17)4-8(9,10)11/h2-4H2,1H3,(H,16,17)(H2,12,13,15,18)
InChIKeyDMTUTKQOWRXSDD-UHFFFAOYSA-N
MW271.19 g/mol
LogP-0.61
Rot. Bonds5

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

2-[[2-(methylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258092) has the molecular formula C8H12F3N3O4 and a molecular weight of 271.19 g/mol. Its IUPAC name is 2-[[2-(methylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(methylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258092
Molecular FormulaC8H12F3N3O4
Molecular Weight271.19 g/mol
Exact Mass271.08
IUPAC Name2-[[2-(methylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCNC(=O)NC(=O)CN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C8H12F3N3O4/c1-12-7(18)13-5(15)2-14(3-6(16)17)4-8(9,10)11/h2-4H2,1H3,(H,16,17)(H2,12,13,15,18)
InChIKeyDMTUTKQOWRXSDD-UHFFFAOYSA-N
XLogP-0.61
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(methylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258092) is 2-[[2-(methylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(methylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(methylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid is CNC(=O)NC(=O)CN(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[[2-(methylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is DMTUTKQOWRXSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O4/c1-12-7(18)13-5(15)2-14(3-6(16)17)4-8(9,10)11/h2-4H2,1H3,(H,16,17)(H2,12,13,15,18).
What are the key properties of 2-[[2-(methylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-(methylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 271.19 g/mol, XLogP of -0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).