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

C10H17F3N2O4 — CID 79266509

IUPAC2-[[ethyl(2-methoxyethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCN(CCOC)C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O4/c1-3-14(4-5-19-2)9(18)15(6-8(16)17)7-10(11,12)13/h3-7H2,1-2H3,(H,16,17)
InChIKeyBGWIJPNNIDRQKU-UHFFFAOYSA-N
MW286.25 g/mol
LogP1.02
Rot. Bonds7

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

2-[[ethyl(2-methoxyethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79266509) has the molecular formula C10H17F3N2O4 and a molecular weight of 286.25 g/mol. Its IUPAC name is 2-[[ethyl(2-methoxyethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[ethyl(2-methoxyethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79266509
Molecular FormulaC10H17F3N2O4
Molecular Weight286.25 g/mol
Exact Mass286.11
IUPAC Name2-[[ethyl(2-methoxyethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCN(CCOC)C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O4/c1-3-14(4-5-19-2)9(18)15(6-8(16)17)7-10(11,12)13/h3-7H2,1-2H3,(H,16,17)
InChIKeyBGWIJPNNIDRQKU-UHFFFAOYSA-N
XLogP1.02
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2-methoxyethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[ethyl(2-methoxyethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79266509) is 2-[[ethyl(2-methoxyethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[ethyl(2-methoxyethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[ethyl(2-methoxyethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid is CCN(CCOC)C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[[ethyl(2-methoxyethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is BGWIJPNNIDRQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O4/c1-3-14(4-5-19-2)9(18)15(6-8(16)17)7-10(11,12)13/h3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-[[ethyl(2-methoxyethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[ethyl(2-methoxyethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 286.25 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2-methoxyethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79266509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).