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

C14H18F3NO2 — CID 69270720

IUPAC2-(aminomethyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]pentanoic acid
SMILESCC(Cc1ccccc1C(F)(F)F)CC(CN)C(=O)O
InChIInChI=1S/C14H18F3NO2/c1-9(7-11(8-18)13(19)20)6-10-4-2-3-5-12(10)14(15,16)17/h2-5,9,11H,6-8,18H2,1H3,(H,19,20)
InChIKeyQKJFWMFRXMIDOS-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.93
Rot. Bonds6

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

2-(aminomethyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]pentanoic acid (PubChem CID 69270720) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]pentanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]pentanoic acid
PubChem CID69270720
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name2-(aminomethyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]pentanoic acid
SMILESCC(Cc1ccccc1C(F)(F)F)CC(CN)C(=O)O
InChIInChI=1S/C14H18F3NO2/c1-9(7-11(8-18)13(19)20)6-10-4-2-3-5-12(10)14(15,16)17/h2-5,9,11H,6-8,18H2,1H3,(H,19,20)
InChIKeyQKJFWMFRXMIDOS-UHFFFAOYSA-N
XLogP2.93
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]pentanoic acid
CID 69266892
2-(aminomethyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]hexanoic acid
CID 11738208
2-(aminomethyl)-6-[2,5-bis(trifluoromethyl)phenyl]-4-methylhexanoic acid
CID 87759762
2-(aminomethyl)-6-[2,3-bis(trifluoromethyl)phenyl]-4-ethylhexanoic acid
CID 87760653
(2R,3R)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[2-(trifluoromethyl)phenyl]butanoic acid
CID 95475888
2-(4-propan-2-ylphenoxy)-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 10498178
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
(2R)-2-[[2-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 51690870
2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879781
2-(aminomethyl)-4-methyl-7-[2,3,5-tris(trifluoromethyl)phenyl]heptanoic acid
CID 87760666
2-(4-aminophenyl)-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 83950622
2-(aminomethyl)-4-methyl-5-[2,3,6-tris(trifluoromethyl)phenyl]hexanoic acid
CID 87759668

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]pentanoic acid?
The IUPAC name of 2-(aminomethyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]pentanoic acid (CID 69270720) is 2-(aminomethyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]pentanoic acid.
What is the SMILES notation for 2-(aminomethyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]pentanoic acid?
The canonical SMILES for 2-(aminomethyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]pentanoic acid is CC(Cc1ccccc1C(F)(F)F)CC(CN)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]pentanoic acid?
The InChIKey is QKJFWMFRXMIDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-9(7-11(8-18)13(19)20)6-10-4-2-3-5-12(10)14(15,16)17/h2-5,9,11H,6-8,18H2,1H3,(H,19,20).
What are the key properties of 2-(aminomethyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]pentanoic acid?
2-(aminomethyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]pentanoic acid has a molecular weight of 289.30 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]pentanoic acid is sourced from PubChem (CID 69270720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).