2-[[2-methoxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C9H15F3N2O4 — CID 79266652

IUPAC2-[[2-methoxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOCCN(C)C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H15F3N2O4/c1-13(3-4-18-2)8(17)14(5-7(15)16)6-9(10,11)12/h3-6H2,1-2H3,(H,15,16)
InChIKeySSJUBQCKZLGKNP-UHFFFAOYSA-N
MW272.22 g/mol
LogP0.63
Rot. Bonds6

About 2-[[2-methoxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[2-methoxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79266652) has the molecular formula C9H15F3N2O4 and a molecular weight of 272.22 g/mol. Its IUPAC name is 2-[[2-methoxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-methoxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79266652
Molecular FormulaC9H15F3N2O4
Molecular Weight272.22 g/mol
Exact Mass272.10
IUPAC Name2-[[2-methoxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOCCN(C)C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H15F3N2O4/c1-13(3-4-18-2)8(17)14(5-7(15)16)6-9(10,11)12/h3-6H2,1-2H3,(H,15,16)
InChIKeySSJUBQCKZLGKNP-UHFFFAOYSA-N
XLogP0.63
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-methoxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79266652) is 2-[[2-methoxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-methoxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-methoxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid is COCCN(C)C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[[2-methoxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is SSJUBQCKZLGKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O4/c1-13(3-4-18-2)8(17)14(5-7(15)16)6-9(10,11)12/h3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-[[2-methoxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-methoxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 272.22 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79266652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).