4-amino-5-[2-(trifluoromethyl)phenyl]pentanoic acid

C12H14F3NO2 — CID 62962954

IUPAC4-amino-5-[2-(trifluoromethyl)phenyl]pentanoic acid
SMILESNC(CCC(=O)O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)10-4-2-1-3-8(10)7-9(16)5-6-11(17)18/h1-4,9H,5-7,16H2,(H,17,18)
InChIKeyQLGKESHRTOESJO-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.44
Rot. Bonds5

About 4-amino-5-[2-(trifluoromethyl)phenyl]pentanoic acid

4-amino-5-[2-(trifluoromethyl)phenyl]pentanoic acid (PubChem CID 62962954) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 4-amino-5-[2-(trifluoromethyl)phenyl]pentanoic acid.

Molecular Properties

Compound Name4-amino-5-[2-(trifluoromethyl)phenyl]pentanoic acid
PubChem CID62962954
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name4-amino-5-[2-(trifluoromethyl)phenyl]pentanoic acid
SMILESNC(CCC(=O)O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)10-4-2-1-3-8(10)7-9(16)5-6-11(17)18/h1-4,9H,5-7,16H2,(H,17,18)
InChIKeyQLGKESHRTOESJO-UHFFFAOYSA-N
XLogP2.44
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-5-[2-(trifluoromethoxy)phenyl]pentanoic acid
CID 62961689
2-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 155890357
(4S)-4-amino-5-naphthalen-1-ylpentanoic acid
CID 66644807
3-fluoro-4-[2-(trifluoromethyl)phenyl]butanoic acid
CID 175735920
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
1-phenyl-2-[2-(trifluoromethyl)phenyl]ethanol
CID 25233734
2-amino-3-[2-(trifluoromethyl)phenyl]propane-1,1-diol
CID 135188548
(2R,3R)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[2-(trifluoromethyl)phenyl]butanoic acid
CID 95475888
4-amino-5-(1H-indol-3-yl)pentanoic acid
CID 53414125
2-(4-aminophenyl)-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 83950622
(4R)-4-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 95359045
4-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoylamino]butanoic acid
CID 122009480

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[2-(trifluoromethyl)phenyl]pentanoic acid?
The IUPAC name of 4-amino-5-[2-(trifluoromethyl)phenyl]pentanoic acid (CID 62962954) is 4-amino-5-[2-(trifluoromethyl)phenyl]pentanoic acid.
What is the SMILES notation for 4-amino-5-[2-(trifluoromethyl)phenyl]pentanoic acid?
The canonical SMILES for 4-amino-5-[2-(trifluoromethyl)phenyl]pentanoic acid is NC(CCC(=O)O)Cc1ccccc1C(F)(F)F.
What is the InChIKey of 4-amino-5-[2-(trifluoromethyl)phenyl]pentanoic acid?
The InChIKey is QLGKESHRTOESJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c13-12(14,15)10-4-2-1-3-8(10)7-9(16)5-6-11(17)18/h1-4,9H,5-7,16H2,(H,17,18).
What are the key properties of 4-amino-5-[2-(trifluoromethyl)phenyl]pentanoic acid?
4-amino-5-[2-(trifluoromethyl)phenyl]pentanoic acid has a molecular weight of 261.24 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[2-(trifluoromethyl)phenyl]pentanoic acid is sourced from PubChem (CID 62962954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).