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

C10H16F3N3O3 — CID 64891757

IUPAC3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)C1(N)CCOC1
InChIInChI=1S/C10H16F3N3O3/c1-16(4-7(17)15-5-10(11,12)13)8(18)9(14)2-3-19-6-9/h2-6,14H2,1H3,(H,15,17)
InChIKeyDCIVGKNVYCBIAS-UHFFFAOYSA-N
MW283.25 g/mol
LogP-0.76
Rot. Bonds4

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

3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide (PubChem CID 64891757) has the molecular formula C10H16F3N3O3 and a molecular weight of 283.25 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide
PubChem CID64891757
Molecular FormulaC10H16F3N3O3
Molecular Weight283.25 g/mol
Exact Mass283.11
IUPAC Name3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)C1(N)CCOC1
InChIInChI=1S/C10H16F3N3O3/c1-16(4-7(17)15-5-10(11,12)13)8(18)9(14)2-3-19-6-9/h2-6,14H2,1H3,(H,15,17)
InChIKeyDCIVGKNVYCBIAS-UHFFFAOYSA-N
XLogP-0.76
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 ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Tert-butyl-4-(2,2-difluoroethyl)-1,3-oxazolidine-4-carboxamide
CID 177038594
2-Methyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)butanamide
CID 61935937
2-Methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)butanamide
CID 61936139
2-(Ethylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)butanamide
CID 61938995
3-(2,2,2-Trifluoroethylamino)oxolane-3-carboxamide
CID 63335623
2-(Methoxymethyl)-2-(2,2,2-trifluoroethylamino)butanamide
CID 64395959
3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64890960
3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64890999
3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64891155
3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64891192
3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64891348
3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64891355

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide (CID 64891757) is 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 3-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)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide?
The InChIKey is DCIVGKNVYCBIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O3/c1-16(4-7(17)15-5-10(11,12)13)8(18)9(14)2-3-19-6-9/h2-6,14H2,1H3,(H,15,17).
What are the key properties of 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide?
3-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 -0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 64891757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).