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

C10H15F3N2O4 — CID 79258498

IUPAC2-[[4-(methylamino)oxolane-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCNC1COCC1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H15F3N2O4/c1-14-7-4-19-3-6(7)9(18)15(2-8(16)17)5-10(11,12)13/h6-7,14H,2-5H2,1H3,(H,16,17)
InChIKeyZODYBWAWHAPDHO-UHFFFAOYSA-N
MW284.23 g/mol
LogP-0.30
Rot. Bonds5

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

2-[[4-(methylamino)oxolane-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258498) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 2-[[4-(methylamino)oxolane-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(methylamino)oxolane-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258498
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Name2-[[4-(methylamino)oxolane-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCNC1COCC1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H15F3N2O4/c1-14-7-4-19-3-6(7)9(18)15(2-8(16)17)5-10(11,12)13/h6-7,14H,2-5H2,1H3,(H,16,17)
InChIKeyZODYBWAWHAPDHO-UHFFFAOYSA-N
XLogP-0.30
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
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-[[4-(methylamino)oxolane-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[4-(methylamino)oxolane-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258498) is 2-[[4-(methylamino)oxolane-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[4-(methylamino)oxolane-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[4-(methylamino)oxolane-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid is CNC1COCC1C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[[4-(methylamino)oxolane-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is ZODYBWAWHAPDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c1-14-7-4-19-3-6(7)9(18)15(2-8(16)17)5-10(11,12)13/h6-7,14H,2-5H2,1H3,(H,16,17).
What are the key properties of 2-[[4-(methylamino)oxolane-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[4-(methylamino)oxolane-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 284.23 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methylamino)oxolane-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).