2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-3,3,3-trifluoropropanoic acid

C11H19F3N2O2 — CID 81475409

IUPAC2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-3,3,3-trifluoropropanoic acid
SMILESCC1CN(CC(C(=O)O)C(F)(F)F)CC1N(C)C
InChIInChI=1S/C11H19F3N2O2/c1-7-4-16(6-9(7)15(2)3)5-8(10(17)18)11(12,13)14/h7-9H,4-6H2,1-3H3,(H,17,18)
InChIKeyCEOHPMKGSFHDSF-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.13
Rot. Bonds4

About 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-3,3,3-trifluoropropanoic acid

2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-3,3,3-trifluoropropanoic acid (PubChem CID 81475409) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-3,3,3-trifluoropropanoic acid.

Molecular Properties

Compound Name2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-3,3,3-trifluoropropanoic acid
PubChem CID81475409
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-3,3,3-trifluoropropanoic acid
SMILESCC1CN(CC(C(=O)O)C(F)(F)F)CC1N(C)C
InChIInChI=1S/C11H19F3N2O2/c1-7-4-16(6-9(7)15(2)3)5-8(10(17)18)11(12,13)14/h7-9H,4-6H2,1-3H3,(H,17,18)
InChIKeyCEOHPMKGSFHDSF-UHFFFAOYSA-N
XLogP1.13
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-3,3,3-trifluoropropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-3,3,3-trifluoropropanoic acid?
The IUPAC name of 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-3,3,3-trifluoropropanoic acid (CID 81475409) is 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-3,3,3-trifluoropropanoic acid.
What is the SMILES notation for 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-3,3,3-trifluoropropanoic acid?
The canonical SMILES for 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-3,3,3-trifluoropropanoic acid is CC1CN(CC(C(=O)O)C(F)(F)F)CC1N(C)C.
What is the InChIKey of 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-3,3,3-trifluoropropanoic acid?
The InChIKey is CEOHPMKGSFHDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-7-4-16(6-9(7)15(2)3)5-8(10(17)18)11(12,13)14/h7-9H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-3,3,3-trifluoropropanoic acid?
2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-3,3,3-trifluoropropanoic acid has a molecular weight of 268.28 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-3,3,3-trifluoropropanoic acid is sourced from PubChem (CID 81475409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).