(2R)-2-[[2-(trifluoromethyl)phenyl]methylamino]propanoic acid

C11H12F3NO2 — CID 51690870

IUPAC(2R)-2-[[2-(trifluoromethyl)phenyl]methylamino]propanoic acid
SMILESC[C@@H](NCc1ccccc1C(F)(F)F)C(=O)O
InChIInChI=1S/C11H12F3NO2/c1-7(10(16)17)15-6-8-4-2-3-5-9(8)11(12,13)14/h2-5,7,15H,6H2,1H3,(H,16,17)/t7-/m1/s1
InChIKeyYKVZWZRGZGWKTL-SSDOTTSWSA-N
MW247.22 g/mol
LogP2.27
Rot. Bonds4

About (2R)-2-[[2-(trifluoromethyl)phenyl]methylamino]propanoic acid

(2R)-2-[[2-(trifluoromethyl)phenyl]methylamino]propanoic acid (PubChem CID 51690870) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is (2R)-2-[[2-(trifluoromethyl)phenyl]methylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(trifluoromethyl)phenyl]methylamino]propanoic acid
PubChem CID51690870
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name(2R)-2-[[2-(trifluoromethyl)phenyl]methylamino]propanoic acid
SMILESC[C@@H](NCc1ccccc1C(F)(F)F)C(=O)O
InChIInChI=1S/C11H12F3NO2/c1-7(10(16)17)15-6-8-4-2-3-5-9(8)11(12,13)14/h2-5,7,15H,6H2,1H3,(H,16,17)/t7-/m1/s1
InChIKeyYKVZWZRGZGWKTL-SSDOTTSWSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-2-[[2-(trifluoromethyl)phenyl]methylamino]butanoic acid
CID 82364502
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CID 62879781
4-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
CID 61240689
2-[[2-(trifluoromethyl)phenyl]methylsulfamoyl]propanoic acid
CID 62881645
(2S)-2-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]ethanol
CID 103922964
2-sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 107028778
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
(2R)-2-[(2,3-dihydroxyphenyl)methylamino]propanoic acid
CID 94213234
N-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide
CID 43214376
2-[(2-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 54959628
1-(2-hydroxypropyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 117235456
1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60944396

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(trifluoromethyl)phenyl]methylamino]propanoic acid?
The IUPAC name of (2R)-2-[[2-(trifluoromethyl)phenyl]methylamino]propanoic acid (CID 51690870) is (2R)-2-[[2-(trifluoromethyl)phenyl]methylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-(trifluoromethyl)phenyl]methylamino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-(trifluoromethyl)phenyl]methylamino]propanoic acid is C[C@@H](NCc1ccccc1C(F)(F)F)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(trifluoromethyl)phenyl]methylamino]propanoic acid?
The InChIKey is YKVZWZRGZGWKTL-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-7(10(16)17)15-6-8-4-2-3-5-9(8)11(12,13)14/h2-5,7,15H,6H2,1H3,(H,16,17)/t7-/m1/s1.
What are the key properties of (2R)-2-[[2-(trifluoromethyl)phenyl]methylamino]propanoic acid?
(2R)-2-[[2-(trifluoromethyl)phenyl]methylamino]propanoic acid has a molecular weight of 247.22 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(trifluoromethyl)phenyl]methylamino]propanoic acid is sourced from PubChem (CID 51690870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).