3,3,3-trifluoro-2-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]propanoic acid

C11H13F3N2O2 — CID 103258965

IUPAC3,3,3-trifluoro-2-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]propanoic acid
SMILESC[C@@H](NCC(C(=O)O)C(F)(F)F)c1ccncc1
InChIInChI=1S/C11H13F3N2O2/c1-7(8-2-4-15-5-3-8)16-6-9(10(17)18)11(12,13)14/h2-5,7,9,16H,6H2,1H3,(H,17,18)/t7-,9?/m1/s1
InChIKeyYNTIPYDKTSRRTD-YOXFSPIKSA-N
MW262.23 g/mol
LogP2.00
Rot. Bonds5

About 3,3,3-trifluoro-2-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]propanoic acid

3,3,3-trifluoro-2-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]propanoic acid (PubChem CID 103258965) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]propanoic acid
PubChem CID103258965
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name3,3,3-trifluoro-2-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]propanoic acid
SMILESC[C@@H](NCC(C(=O)O)C(F)(F)F)c1ccncc1
InChIInChI=1S/C11H13F3N2O2/c1-7(8-2-4-15-5-3-8)16-6-9(10(17)18)11(12,13)14/h2-5,7,9,16H,6H2,1H3,(H,17,18)/t7-,9?/m1/s1
InChIKeyYNTIPYDKTSRRTD-YOXFSPIKSA-N
XLogP2.00
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-2-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]propanoic acid with MolForge

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Related Compounds

2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-3,3,3-trifluoropropanoic acid
CID 103257205
1,1,1-trifluoro-3-(1-pyridin-4-ylethylamino)propan-2-ol
CID 63901888
1,1,1-trifluoro-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81410735
(2R)-1-(1-pyridin-4-ylethylamino)butan-2-ol
CID 75444116
3-hydroxy-4-[[(1R)-1-pyridin-4-ylethyl]amino]butanoic acid
CID 103258978
2-acetamido-3-[[(1S)-1-pyridin-4-ylethyl]amino]propanoic acid
CID 81410723
methyl 2-methyl-3-[[(1S)-1-pyridin-4-ylethyl]amino]propanoate
CID 81410031
(1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol
CID 93032010
2-(1-pyridin-4-ylethylamino)acetamide
CID 16775752
2-methyl-N-(1-pyridin-4-ylethyl)butan-1-amine
CID 43202297
2-[[(1S)-1-pyridin-4-ylethyl]amino]propanoic acid
CID 81405988
2-methylsulfinyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 115896159

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]propanoic acid (CID 103258965) is 3,3,3-trifluoro-2-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]propanoic acid is C[C@@H](NCC(C(=O)O)C(F)(F)F)c1ccncc1.
What is the InChIKey of 3,3,3-trifluoro-2-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]propanoic acid?
The InChIKey is YNTIPYDKTSRRTD-YOXFSPIKSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-7(8-2-4-15-5-3-8)16-6-9(10(17)18)11(12,13)14/h2-5,7,9,16H,6H2,1H3,(H,17,18)/t7-,9?/m1/s1.
What are the key properties of 3,3,3-trifluoro-2-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]propanoic acid?
3,3,3-trifluoro-2-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]propanoic acid has a molecular weight of 262.23 g/mol, XLogP of 2.00, 5 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-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]propanoic acid is sourced from PubChem (CID 103258965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).