2-[2-methoxyethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid

C9H15F3N2O4 — CID 54969405

IUPAC2-[2-methoxyethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)CC(=O)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O4/c1-18-3-2-14(5-8(16)17)4-7(15)13-6-9(10,11)12/h2-6H2,1H3,(H,13,15)(H,16,17)
InChIKeyNATGMRBJGRPPSK-UHFFFAOYSA-N
MW272.22 g/mol
LogP-0.30
Rot. Bonds8

About 2-[2-methoxyethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid

2-[2-methoxyethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid (PubChem CID 54969405) has the molecular formula C9H15F3N2O4 and a molecular weight of 272.22 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid
PubChem CID54969405
Molecular FormulaC9H15F3N2O4
Molecular Weight272.22 g/mol
Exact Mass272.10
IUPAC Name2-[2-methoxyethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)CC(=O)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O4/c1-18-3-2-14(5-8(16)17)4-7(15)13-6-9(10,11)12/h2-6H2,1H3,(H,13,15)(H,16,17)
InChIKeyNATGMRBJGRPPSK-UHFFFAOYSA-N
XLogP-0.30
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid (CID 54969405) is 2-[2-methoxyethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid is COCCN(CC(=O)O)CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[2-methoxyethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid?
The InChIKey is NATGMRBJGRPPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O4/c1-18-3-2-14(5-8(16)17)4-7(15)13-6-9(10,11)12/h2-6H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-[2-methoxyethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid?
2-[2-methoxyethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid has a molecular weight of 272.22 g/mol, XLogP of -0.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 54969405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).