4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide

C10H16F3N3O3 — CID 66241457

IUPAC4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)C1COCC1N
InChIInChI=1S/C10H16F3N3O3/c1-16(2-8(17)15-5-10(11,12)13)9(18)6-3-19-4-7(6)14/h6-7H,2-5,14H2,1H3,(H,15,17)
InChIKeyXGEVYKCWXKUGMH-UHFFFAOYSA-N
MW283.25 g/mol
LogP-0.90
Rot. Bonds4

About 4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide

4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide (PubChem CID 66241457) has the molecular formula C10H16F3N3O3 and a molecular weight of 283.25 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide
PubChem CID66241457
Molecular FormulaC10H16F3N3O3
Molecular Weight283.25 g/mol
Exact Mass283.11
IUPAC Name4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)C1COCC1N
InChIInChI=1S/C10H16F3N3O3/c1-16(2-8(17)15-5-10(11,12)13)9(18)6-3-19-4-7(6)14/h6-7H,2-5,14H2,1H3,(H,15,17)
InChIKeyXGEVYKCWXKUGMH-UHFFFAOYSA-N
XLogP-0.90
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide (CID 66241457) is 4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide is CN(CC(=O)NCC(F)(F)F)C(=O)C1COCC1N.
What is the InChIKey of 4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide?
The InChIKey is XGEVYKCWXKUGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O3/c1-16(2-8(17)15-5-10(11,12)13)9(18)6-3-19-4-7(6)14/h6-7H,2-5,14H2,1H3,(H,15,17).
What are the key properties of 4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide?
4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide has a molecular weight of 283.25 g/mol, XLogP of -0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 66241457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).