3,3,3-trifluoro-2-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]propanoic acid

C10H15F3N2O3 — CID 79795486

IUPAC3,3,3-trifluoro-2-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]propanoic acid
SMILESCN1CCC(C(=O)NC(C)(C(=O)O)C(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O3/c1-9(8(17)18,10(11,12)13)14-7(16)6-3-4-15(2)5-6/h6H,3-5H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyIXRJVFHHAONCKM-UHFFFAOYSA-N
MW268.23 g/mol
LogP0.46
Rot. Bonds3

About 3,3,3-trifluoro-2-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]propanoic acid

3,3,3-trifluoro-2-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]propanoic acid (PubChem CID 79795486) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]propanoic acid
PubChem CID79795486
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name3,3,3-trifluoro-2-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]propanoic acid
SMILESCN1CCC(C(=O)NC(C)(C(=O)O)C(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O3/c1-9(8(17)18,10(11,12)13)14-7(16)6-3-4-15(2)5-6/h6H,3-5H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyIXRJVFHHAONCKM-UHFFFAOYSA-N
XLogP0.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]propanoic acid (CID 79795486) is 3,3,3-trifluoro-2-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]propanoic acid is CN1CCC(C(=O)NC(C)(C(=O)O)C(F)(F)F)C1.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]propanoic acid?
The InChIKey is IXRJVFHHAONCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-9(8(17)18,10(11,12)13)14-7(16)6-3-4-15(2)5-6/h6H,3-5H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 3,3,3-trifluoro-2-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]propanoic acid?
3,3,3-trifluoro-2-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]propanoic acid has a molecular weight of 268.23 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 79795486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).