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

C12H19F3N2O4 — CID 66251772

IUPAC4-[propyl(3,3,3-trifluoropropylcarbamoyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)NCCC(F)(F)F)C1COCC1C(=O)O
InChIInChI=1S/C12H19F3N2O4/c1-2-5-17(9-7-21-6-8(9)10(18)19)11(20)16-4-3-12(13,14)15/h8-9H,2-7H2,1H3,(H,16,20)(H,18,19)
InChIKeyBDUZYWFPJIGXKL-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.46
Rot. Bonds6

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

4-[propyl(3,3,3-trifluoropropylcarbamoyl)amino]oxolane-3-carboxylic acid (PubChem CID 66251772) has the molecular formula C12H19F3N2O4 and a molecular weight of 312.29 g/mol. Its IUPAC name is 4-[propyl(3,3,3-trifluoropropylcarbamoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[propyl(3,3,3-trifluoropropylcarbamoyl)amino]oxolane-3-carboxylic acid
PubChem CID66251772
Molecular FormulaC12H19F3N2O4
Molecular Weight312.29 g/mol
Exact Mass312.13
IUPAC Name4-[propyl(3,3,3-trifluoropropylcarbamoyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)NCCC(F)(F)F)C1COCC1C(=O)O
InChIInChI=1S/C12H19F3N2O4/c1-2-5-17(9-7-21-6-8(9)10(18)19)11(20)16-4-3-12(13,14)15/h8-9H,2-7H2,1H3,(H,16,20)(H,18,19)
InChIKeyBDUZYWFPJIGXKL-UHFFFAOYSA-N
XLogP1.46
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[propyl(3,3,3-trifluoropropylcarbamoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[propyl(3,3,3-trifluoropropylcarbamoyl)amino]oxolane-3-carboxylic acid (CID 66251772) is 4-[propyl(3,3,3-trifluoropropylcarbamoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[propyl(3,3,3-trifluoropropylcarbamoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[propyl(3,3,3-trifluoropropylcarbamoyl)amino]oxolane-3-carboxylic acid is CCCN(C(=O)NCCC(F)(F)F)C1COCC1C(=O)O.
What is the InChIKey of 4-[propyl(3,3,3-trifluoropropylcarbamoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is BDUZYWFPJIGXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O4/c1-2-5-17(9-7-21-6-8(9)10(18)19)11(20)16-4-3-12(13,14)15/h8-9H,2-7H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-[propyl(3,3,3-trifluoropropylcarbamoyl)amino]oxolane-3-carboxylic acid?
4-[propyl(3,3,3-trifluoropropylcarbamoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 312.29 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propyl(3,3,3-trifluoropropylcarbamoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66251772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).