3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid

C11H15F3N2O4 — CID 64891855

IUPAC3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H15F3N2O4/c12-11(13,14)5-16(7-1-2-7)9(19)15-10(8(17)18)3-4-20-6-10/h7H,1-6H2,(H,15,19)(H,17,18)
InChIKeyBNOMHUQRRRGVAJ-UHFFFAOYSA-N
MW296.25 g/mol
LogP0.97
Rot. Bonds4

About 3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid

3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 64891855) has the molecular formula C11H15F3N2O4 and a molecular weight of 296.25 g/mol. Its IUPAC name is 3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID64891855
Molecular FormulaC11H15F3N2O4
Molecular Weight296.25 g/mol
Exact Mass296.10
IUPAC Name3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H15F3N2O4/c12-11(13,14)5-16(7-1-2-7)9(19)15-10(8(17)18)3-4-20-6-10/h7H,1-6H2,(H,15,19)(H,17,18)
InChIKeyBNOMHUQRRRGVAJ-UHFFFAOYSA-N
XLogP0.97
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid (CID 64891855) is 3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid is O=C(NC1(C(=O)O)CCOC1)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is BNOMHUQRRRGVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O4/c12-11(13,14)5-16(7-1-2-7)9(19)15-10(8(17)18)3-4-20-6-10/h7H,1-6H2,(H,15,19)(H,17,18).
What are the key properties of 3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 296.25 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64891855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).