4-methoxy-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-2-carboxylic acid

C10H15F3N2O4 — CID 63227410

IUPAC4-methoxy-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)NCCC(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O4/c1-19-6-4-7(8(16)17)15(5-6)9(18)14-3-2-10(11,12)13/h6-7H,2-5H2,1H3,(H,14,18)(H,16,17)
InChIKeyPBYBUBVSVOMFHO-UHFFFAOYSA-N
MW284.23 g/mol
LogP0.82
Rot. Bonds4

About 4-methoxy-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-2-carboxylic acid

4-methoxy-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 63227410) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 4-methoxy-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID63227410
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Name4-methoxy-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)NCCC(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O4/c1-19-6-4-7(8(16)17)15(5-6)9(18)14-3-2-10(11,12)13/h6-7H,2-5H2,1H3,(H,14,18)(H,16,17)
InChIKeyPBYBUBVSVOMFHO-UHFFFAOYSA-N
XLogP0.82
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 63227410) is 4-methoxy-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)NCCC(F)(F)F)C1.
What is the InChIKey of 4-methoxy-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is PBYBUBVSVOMFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c1-19-6-4-7(8(16)17)15(5-6)9(18)14-3-2-10(11,12)13/h6-7H,2-5H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 4-methoxy-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-2-carboxylic acid?
4-methoxy-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 284.23 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63227410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).