4-[propyl(3,3,3-trifluoropropanoyl)amino]oxolane-3-carboxylic acid

C11H16F3NO4 — CID 66252612

IUPAC4-[propyl(3,3,3-trifluoropropanoyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)CC(F)(F)F)C1COCC1C(=O)O
InChIInChI=1S/C11H16F3NO4/c1-2-3-15(9(16)4-11(12,13)14)8-6-19-5-7(8)10(17)18/h7-8H,2-6H2,1H3,(H,17,18)
InChIKeyWLKVVCPMXOMOJR-UHFFFAOYSA-N
MW283.25 g/mol
LogP1.28
Rot. Bonds5

About 4-[propyl(3,3,3-trifluoropropanoyl)amino]oxolane-3-carboxylic acid

4-[propyl(3,3,3-trifluoropropanoyl)amino]oxolane-3-carboxylic acid (PubChem CID 66252612) has the molecular formula C11H16F3NO4 and a molecular weight of 283.25 g/mol. Its IUPAC name is 4-[propyl(3,3,3-trifluoropropanoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[propyl(3,3,3-trifluoropropanoyl)amino]oxolane-3-carboxylic acid
PubChem CID66252612
Molecular FormulaC11H16F3NO4
Molecular Weight283.25 g/mol
Exact Mass283.10
IUPAC Name4-[propyl(3,3,3-trifluoropropanoyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)CC(F)(F)F)C1COCC1C(=O)O
InChIInChI=1S/C11H16F3NO4/c1-2-3-15(9(16)4-11(12,13)14)8-6-19-5-7(8)10(17)18/h7-8H,2-6H2,1H3,(H,17,18)
InChIKeyWLKVVCPMXOMOJR-UHFFFAOYSA-N
XLogP1.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-methoxy-3-methylbutanoyl)-propylamino]oxolane-3-carboxylic acid
CID 103018900
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid
CID 66254737
4-[4-aminobutanoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254547
4-[(2-cyclobutylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 103162016
4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid
CID 82985265
4-[(2-propan-2-ylsulfanylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 66253390
4-[[(2R)-2-amino-3,3-dimethylbutanoyl]-propylamino]oxolane-3-carboxylic acid
CID 103930132
4-[(2-piperazin-1-ylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 66257035
4-[[(2R)-2-aminobutanoyl]-propylamino]oxolane-3-carboxylic acid
CID 66254352
4-[[2-ethoxyethyl(methyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid
CID 81037296
4-[ethyl-[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66246552

Frequently Asked Questions

What is the IUPAC name of 4-[propyl(3,3,3-trifluoropropanoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[propyl(3,3,3-trifluoropropanoyl)amino]oxolane-3-carboxylic acid (CID 66252612) is 4-[propyl(3,3,3-trifluoropropanoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[propyl(3,3,3-trifluoropropanoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[propyl(3,3,3-trifluoropropanoyl)amino]oxolane-3-carboxylic acid is CCCN(C(=O)CC(F)(F)F)C1COCC1C(=O)O.
What is the InChIKey of 4-[propyl(3,3,3-trifluoropropanoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is WLKVVCPMXOMOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO4/c1-2-3-15(9(16)4-11(12,13)14)8-6-19-5-7(8)10(17)18/h7-8H,2-6H2,1H3,(H,17,18).
What are the key properties of 4-[propyl(3,3,3-trifluoropropanoyl)amino]oxolane-3-carboxylic acid?
4-[propyl(3,3,3-trifluoropropanoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 283.25 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propyl(3,3,3-trifluoropropanoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66252612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).