2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid

C11H17F3N2O4 — CID 79798738

IUPAC2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCCNC1COCC1C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H17F3N2O4/c1-3-15-7-5-20-4-6(7)8(17)16-10(2,9(18)19)11(12,13)14/h6-7,15H,3-5H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyUYTYABPHBITGBT-UHFFFAOYSA-N
MW298.26 g/mol
LogP0.13
Rot. Bonds5

About 2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid

2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79798738) has the molecular formula C11H17F3N2O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is 2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79798738
Molecular FormulaC11H17F3N2O4
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC Name2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCCNC1COCC1C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H17F3N2O4/c1-3-15-7-5-20-4-6(7)8(17)16-10(2,9(18)19)11(12,13)14/h6-7,15H,3-5H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyUYTYABPHBITGBT-UHFFFAOYSA-N
XLogP0.13
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid (CID 79798738) is 2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid is CCNC1COCC1C(=O)NC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is UYTYABPHBITGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O4/c1-3-15-7-5-20-4-6(7)8(17)16-10(2,9(18)19)11(12,13)14/h6-7,15H,3-5H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 298.26 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79798738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).