2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]propanoic acid

C10H17F3N2O2 — CID 66174538

IUPAC2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]propanoic acid
SMILESCC(NCC1CCN(CC(F)(F)F)C1)C(=O)O
InChIInChI=1S/C10H17F3N2O2/c1-7(9(16)17)14-4-8-2-3-15(5-8)6-10(11,12)13/h7-8,14H,2-6H2,1H3,(H,16,17)
InChIKeyYACUQNRAZZIYDZ-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.93
Rot. Bonds5

About 2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]propanoic acid

2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]propanoic acid (PubChem CID 66174538) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]propanoic acid
PubChem CID66174538
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]propanoic acid
SMILESCC(NCC1CCN(CC(F)(F)F)C1)C(=O)O
InChIInChI=1S/C10H17F3N2O2/c1-7(9(16)17)14-4-8-2-3-15(5-8)6-10(11,12)13/h7-8,14H,2-6H2,1H3,(H,16,17)
InChIKeyYACUQNRAZZIYDZ-UHFFFAOYSA-N
XLogP0.93
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]propanoic 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-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]propanoic acid?
The IUPAC name of 2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]propanoic acid (CID 66174538) is 2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]propanoic acid.
What is the SMILES notation for 2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]propanoic acid?
The canonical SMILES for 2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]propanoic acid is CC(NCC1CCN(CC(F)(F)F)C1)C(=O)O.
What is the InChIKey of 2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]propanoic acid?
The InChIKey is YACUQNRAZZIYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-7(9(16)17)14-4-8-2-3-15(5-8)6-10(11,12)13/h7-8,14H,2-6H2,1H3,(H,16,17).
What are the key properties of 2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]propanoic acid?
2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]propanoic acid has a molecular weight of 254.25 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]propanoic acid is sourced from PubChem (CID 66174538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).