4-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]oxolane-3-carboxylic acid

C9H13F3N2O4 — CID 79260671

IUPAC4-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]oxolane-3-carboxylic acid
SMILESO=C(CNCC(F)(F)F)NC1COCC1C(=O)O
InChIInChI=1S/C9H13F3N2O4/c10-9(11,12)4-13-1-7(15)14-6-3-18-2-5(6)8(16)17/h5-6,13H,1-4H2,(H,14,15)(H,16,17)
InChIKeyHAFCLOFQWRCKSG-UHFFFAOYSA-N
MW270.21 g/mol
LogP-0.65
Rot. Bonds5

About 4-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]oxolane-3-carboxylic acid

4-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]oxolane-3-carboxylic acid (PubChem CID 79260671) has the molecular formula C9H13F3N2O4 and a molecular weight of 270.21 g/mol. Its IUPAC name is 4-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]oxolane-3-carboxylic acid
PubChem CID79260671
Molecular FormulaC9H13F3N2O4
Molecular Weight270.21 g/mol
Exact Mass270.08
IUPAC Name4-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]oxolane-3-carboxylic acid
SMILESO=C(CNCC(F)(F)F)NC1COCC1C(=O)O
InChIInChI=1S/C9H13F3N2O4/c10-9(11,12)4-13-1-7(15)14-6-3-18-2-5(6)8(16)17/h5-6,13H,1-4H2,(H,14,15)(H,16,17)
InChIKeyHAFCLOFQWRCKSG-UHFFFAOYSA-N
XLogP-0.65
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]oxolane-3-carboxylic acid (CID 79260671) is 4-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]oxolane-3-carboxylic acid is O=C(CNCC(F)(F)F)NC1COCC1C(=O)O.
What is the InChIKey of 4-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]oxolane-3-carboxylic acid?
The InChIKey is HAFCLOFQWRCKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O4/c10-9(11,12)4-13-1-7(15)14-6-3-18-2-5(6)8(16)17/h5-6,13H,1-4H2,(H,14,15)(H,16,17).
What are the key properties of 4-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]oxolane-3-carboxylic acid?
4-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]oxolane-3-carboxylic acid has a molecular weight of 270.21 g/mol, XLogP of -0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 79260671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).