2-[[4-(ethylamino)oxolane-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C11H17F3N2O4 — CID 79257841

IUPAC2-[[4-(ethylamino)oxolane-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCNC1COCC1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H17F3N2O4/c1-2-15-8-5-20-4-7(8)10(19)16(3-9(17)18)6-11(12,13)14/h7-8,15H,2-6H2,1H3,(H,17,18)
InChIKeyGIYWMRNJJPFYNE-UHFFFAOYSA-N
MW298.26 g/mol
LogP0.09
Rot. Bonds6

About 2-[[4-(ethylamino)oxolane-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[4-(ethylamino)oxolane-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79257841) has the molecular formula C11H17F3N2O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is 2-[[4-(ethylamino)oxolane-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(ethylamino)oxolane-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79257841
Molecular FormulaC11H17F3N2O4
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC Name2-[[4-(ethylamino)oxolane-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCNC1COCC1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H17F3N2O4/c1-2-15-8-5-20-4-7(8)10(19)16(3-9(17)18)6-11(12,13)14/h7-8,15H,2-6H2,1H3,(H,17,18)
InChIKeyGIYWMRNJJPFYNE-UHFFFAOYSA-N
XLogP0.09
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethylamino)oxolane-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[4-(ethylamino)oxolane-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79257841) is 2-[[4-(ethylamino)oxolane-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[4-(ethylamino)oxolane-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[4-(ethylamino)oxolane-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid is CCNC1COCC1C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[[4-(ethylamino)oxolane-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is GIYWMRNJJPFYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O4/c1-2-15-8-5-20-4-7(8)10(19)16(3-9(17)18)6-11(12,13)14/h7-8,15H,2-6H2,1H3,(H,17,18).
What are the key properties of 2-[[4-(ethylamino)oxolane-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[4-(ethylamino)oxolane-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 298.26 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylamino)oxolane-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79257841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).