2-[2-methoxyethyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid

C16H18F3NO4 — CID 119188956

IUPAC2-[2-methoxyethyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)C1CC1c1ccccc1C(F)(F)F
InChIInChI=1S/C16H18F3NO4/c1-24-7-6-20(9-14(21)22)15(23)12-8-11(12)10-4-2-3-5-13(10)16(17,18)19/h2-5,11-12H,6-9H2,1H3,(H,21,22)
InChIKeyXMMWDXFODROPRV-UHFFFAOYSA-N
MW345.32 g/mol
LogP2.37
Rot. Bonds7

About 2-[2-methoxyethyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid

2-[2-methoxyethyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid (PubChem CID 119188956) has the molecular formula C16H18F3NO4 and a molecular weight of 345.32 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid
PubChem CID119188956
Molecular FormulaC16H18F3NO4
Molecular Weight345.32 g/mol
Exact Mass345.12
IUPAC Name2-[2-methoxyethyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)C1CC1c1ccccc1C(F)(F)F
InChIInChI=1S/C16H18F3NO4/c1-24-7-6-20(9-14(21)22)15(23)12-8-11(12)10-4-2-3-5-13(10)16(17,18)19/h2-5,11-12H,6-9H2,1H3,(H,21,22)
InChIKeyXMMWDXFODROPRV-UHFFFAOYSA-N
XLogP2.37
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid (CID 119188956) is 2-[2-methoxyethyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid is COCCN(CC(=O)O)C(=O)C1CC1c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2-methoxyethyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid?
The InChIKey is XMMWDXFODROPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO4/c1-24-7-6-20(9-14(21)22)15(23)12-8-11(12)10-4-2-3-5-13(10)16(17,18)19/h2-5,11-12H,6-9H2,1H3,(H,21,22).
What are the key properties of 2-[2-methoxyethyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid?
2-[2-methoxyethyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid has a molecular weight of 345.32 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid is sourced from PubChem (CID 119188956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).