(2R)-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanoic acid

C9H9F3N2O2 — CID 122049884

IUPAC(2R)-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanoic acid
SMILESC[C@@H](Nc1ccnc(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C9H9F3N2O2/c1-5(8(15)16)14-6-2-3-13-7(4-6)9(10,11)12/h2-5H,1H3,(H,13,14)(H,15,16)/t5-/m1/s1
InChIKeySCVGHTFIMKWDOW-RXMQYKEDSA-N
MW234.18 g/mol
LogP1.99
Rot. Bonds3

About (2R)-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanoic acid

(2R)-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanoic acid (PubChem CID 122049884) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is (2R)-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanoic acid
PubChem CID122049884
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name(2R)-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanoic acid
SMILESC[C@@H](Nc1ccnc(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C9H9F3N2O2/c1-5(8(15)16)14-6-2-3-13-7(4-6)9(10,11)12/h2-5H,1H3,(H,13,14)(H,15,16)/t5-/m1/s1
InChIKeySCVGHTFIMKWDOW-RXMQYKEDSA-N
XLogP1.99
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]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 (2R)-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanoic acid (CID 122049884) is (2R)-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanoic acid is C[C@@H](Nc1ccnc(C(F)(F)F)c1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanoic acid?
The InChIKey is SCVGHTFIMKWDOW-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-5(8(15)16)14-6-2-3-13-7(4-6)9(10,11)12/h2-5H,1H3,(H,13,14)(H,15,16)/t5-/m1/s1.
What are the key properties of (2R)-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanoic acid?
(2R)-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanoic acid has a molecular weight of 234.18 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanoic acid is sourced from PubChem (CID 122049884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).