4-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid

C11H17F3N2O4 — CID 66248790

IUPAC4-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid
SMILESCCN(CC(F)(F)F)C(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C11H17F3N2O4/c1-3-16(5-11(12,13)14)9(19)15-7-4-20-6-10(7,2)8(17)18/h7H,3-6H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyPCAZHOLQKXSDEZ-UHFFFAOYSA-N
MW298.26 g/mol
LogP1.07
Rot. Bonds4

About 4-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid

4-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid (PubChem CID 66248790) has the molecular formula C11H17F3N2O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is 4-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid
PubChem CID66248790
Molecular FormulaC11H17F3N2O4
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC Name4-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid
SMILESCCN(CC(F)(F)F)C(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C11H17F3N2O4/c1-3-16(5-11(12,13)14)9(19)15-7-4-20-6-10(7,2)8(17)18/h7H,3-6H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyPCAZHOLQKXSDEZ-UHFFFAOYSA-N
XLogP1.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Ethoxyethylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708369
1-(1-Methoxypropan-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709793
1-(1-Ethoxypropan-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709820
3-[Ethyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]butanoic acid
CID 63833536
3-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63834066
1-(1-Methoxybutan-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 64403192
3-(2,2,2-Trifluoroethylcarbamoylamino)oxolane-3-carboxylic acid
CID 64889275
3-[[Methyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64891045
3-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64891660
3-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64891855
3-[[Propyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64892050
3-[[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64892051

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid (CID 66248790) is 4-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid is CCN(CC(F)(F)F)C(=O)NC1COCC1(C)C(=O)O.
What is the InChIKey of 4-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid?
The InChIKey is PCAZHOLQKXSDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O4/c1-3-16(5-11(12,13)14)9(19)15-7-4-20-6-10(7,2)8(17)18/h7H,3-6H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 4-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid?
4-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid has a molecular weight of 298.26 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66248790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).