2-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]pentanoic acid

C13H16F3NO2 — CID 69266892

IUPAC2-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]pentanoic acid
SMILESCC(CC(CN)C(=O)O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-8(6-9(7-17)12(18)19)10-4-2-3-5-11(10)13(14,15)16/h2-5,8-9H,6-7,17H2,1H3,(H,18,19)
InChIKeyYTGCNNDAUZRJOX-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.86
Rot. Bonds5

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

2-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]pentanoic acid (PubChem CID 69266892) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]pentanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]pentanoic acid
PubChem CID69266892
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]pentanoic acid
SMILESCC(CC(CN)C(=O)O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-8(6-9(7-17)12(18)19)10-4-2-3-5-11(10)13(14,15)16/h2-5,8-9H,6-7,17H2,1H3,(H,18,19)
InChIKeyYTGCNNDAUZRJOX-UHFFFAOYSA-N
XLogP2.86
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]hexanoic acid
CID 11738208
2-(aminomethyl)-4-(2-hydroxyphenyl)pentanoic acid
CID 69269941
2-(aminomethyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]pentanoic acid
CID 69270720
2-(aminomethyl)-4-(2,3-dichlorophenyl)pentanoic acid
CID 69269444
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
2-[2-(trifluoromethyl)phenyl]butanoic acid
CID 62801818
2-(aminomethyl)-5-(2-hydroxyphenyl)-4-methylhexanoic acid
CID 69268100
2-(aminomethyl)-6-[2,3-bis(trifluoromethyl)phenyl]-4-ethylhexanoic acid
CID 87760653
2-(aminomethyl)-6-[2,5-bis(trifluoromethyl)phenyl]-4-methylhexanoic acid
CID 87759762
2-(aminomethyl)-4-methyl-5-[2,3,6-tris(trifluoromethyl)phenyl]hexanoic acid
CID 87759668
2-methyl-3-[3-[2-(trifluoromethyl)phenyl]butanoylamino]propanoic acid
CID 119237428
N-(3-aminopropyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119408524

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]pentanoic acid?
The IUPAC name of 2-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]pentanoic acid (CID 69266892) is 2-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]pentanoic acid.
What is the SMILES notation for 2-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]pentanoic acid?
The canonical SMILES for 2-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]pentanoic acid is CC(CC(CN)C(=O)O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]pentanoic acid?
The InChIKey is YTGCNNDAUZRJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-8(6-9(7-17)12(18)19)10-4-2-3-5-11(10)13(14,15)16/h2-5,8-9H,6-7,17H2,1H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]pentanoic acid?
2-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]pentanoic acid has a molecular weight of 275.27 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]pentanoic acid is sourced from PubChem (CID 69266892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).