2-[benzyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]acetic acid

C19H20F3NO2 — CID 19737452

IUPAC2-[benzyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]acetic acid
SMILESCC(Cc1cccc(C(F)(F)F)c1)N(CC(=O)O)Cc1ccccc1
InChIInChI=1S/C19H20F3NO2/c1-14(10-16-8-5-9-17(11-16)19(20,21)22)23(13-18(24)25)12-15-6-3-2-4-7-15/h2-9,11,14H,10,12-13H2,1H3,(H,24,25)
InChIKeyOQGVNYTUJQOXTE-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.22
Rot. Bonds7

About 2-[benzyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]acetic acid

2-[benzyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]acetic acid (PubChem CID 19737452) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-[benzyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[benzyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]acetic acid
PubChem CID19737452
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name2-[benzyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]acetic acid
SMILESCC(Cc1cccc(C(F)(F)F)c1)N(CC(=O)O)Cc1ccccc1
InChIInChI=1S/C19H20F3NO2/c1-14(10-16-8-5-9-17(11-16)19(20,21)22)23(13-18(24)25)12-15-6-3-2-4-7-15/h2-9,11,14H,10,12-13H2,1H3,(H,24,25)
InChIKeyOQGVNYTUJQOXTE-UHFFFAOYSA-N
XLogP4.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Dibenzylamino)acetic acid
CID 174082
(4-Benzhydryl-piperazin-1-yl)-acetic acid
CID 4741586
2-{Benzyl[3-(trifluoromethyl)benzyl]amino}ethanol
CID 782916
2-((r)-2-Methyl-4-((r)-phenyl(3-(trifluoromethyl)phenyl)methyl)piperazin-1-yl)acetic acid
CID 25063368
2-[1-[3-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]ethylamino]acetic acid
CID 147608106
2-[[3-[2-(2-Methyl-3-phenylphenyl)ethyl]-4-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 149456471
1-(3-Trifluoromethylphenyl)-2-(2-carboxymethyl)aminopropane
CID 43670
N-(Diphenylmethyl)glycine
CID 218512
Benzyl-N-methyl-L-alanine
CID 825998
N-benzyl-N-methylglycine
CID 301761
N,N-dibenzylleucine
CID 3471489
2-((r)-4-(Cyclopropyl(3-(trifluoromethyl)phenyl)methyl)-2-methylpiperazin-1-yl)acetic acid
CID 57682603

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]acetic acid?
The IUPAC name of 2-[benzyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]acetic acid (CID 19737452) is 2-[benzyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[benzyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[benzyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]acetic acid is CC(Cc1cccc(C(F)(F)F)c1)N(CC(=O)O)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]acetic acid?
The InChIKey is OQGVNYTUJQOXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2/c1-14(10-16-8-5-9-17(11-16)19(20,21)22)23(13-18(24)25)12-15-6-3-2-4-7-15/h2-9,11,14H,10,12-13H2,1H3,(H,24,25).
What are the key properties of 2-[benzyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]acetic acid?
2-[benzyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]acetic acid has a molecular weight of 351.37 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]acetic acid is sourced from PubChem (CID 19737452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).