2-[(1-methylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

C9H15F3N2O2 — CID 79266038

IUPAC2-[(1-methylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCN1CCC(N(CC(=O)O)CC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2/c1-13-3-2-7(4-13)14(5-8(15)16)6-9(10,11)12/h7H,2-6H2,1H3,(H,15,16)
InChIKeyOTUPOXZDLNBVRY-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.64
Rot. Bonds4

About 2-[(1-methylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(1-methylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79266038) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-[(1-methylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-methylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79266038
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2-[(1-methylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCN1CCC(N(CC(=O)O)CC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2/c1-13-3-2-7(4-13)14(5-8(15)16)6-9(10,11)12/h7H,2-6H2,1H3,(H,15,16)
InChIKeyOTUPOXZDLNBVRY-UHFFFAOYSA-N
XLogP0.64
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(1-methylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79266038) is 2-[(1-methylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-methylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(1-methylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is CN1CCC(N(CC(=O)O)CC(F)(F)F)C1.
What is the InChIKey of 2-[(1-methylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is OTUPOXZDLNBVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-13-3-2-7(4-13)14(5-8(15)16)6-9(10,11)12/h7H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-[(1-methylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(1-methylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 240.22 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79266038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).