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

C12H21F3N2O4 — CID 79264184

IUPAC2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOCCN(CC(C)C)C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C12H21F3N2O4/c1-9(2)6-16(4-5-21-3)11(20)17(7-10(18)19)8-12(13,14)15/h9H,4-8H2,1-3H3,(H,18,19)
InChIKeyZMBHNAHPBYPXRR-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.66
Rot. Bonds8

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

2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79264184) has the molecular formula C12H21F3N2O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is 2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79264184
Molecular FormulaC12H21F3N2O4
Molecular Weight314.30 g/mol
Exact Mass314.15
IUPAC Name2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOCCN(CC(C)C)C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C12H21F3N2O4/c1-9(2)6-16(4-5-21-3)11(20)17(7-10(18)19)8-12(13,14)15/h9H,4-8H2,1-3H3,(H,18,19)
InChIKeyZMBHNAHPBYPXRR-UHFFFAOYSA-N
XLogP1.66
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79264184) is 2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid is COCCN(CC(C)C)C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is ZMBHNAHPBYPXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O4/c1-9(2)6-16(4-5-21-3)11(20)17(7-10(18)19)8-12(13,14)15/h9H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 314.30 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79264184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).