2-(aminomethyl)-5,5,5-trifluoro-2-propan-2-ylpentanoic acid

C9H16F3NO2 — CID 106488526

IUPAC2-(aminomethyl)-5,5,5-trifluoro-2-propan-2-ylpentanoic acid
SMILESCC(C)C(CN)(CCC(F)(F)F)C(=O)O
InChIInChI=1S/C9H16F3NO2/c1-6(2)8(5-13,7(14)15)3-4-9(10,11)12/h6H,3-5,13H2,1-2H3,(H,14,15)
InChIKeyJEMVEIXYFYPIAY-UHFFFAOYSA-N
MW227.23 g/mol
LogP2.01
Rot. Bonds5

About 2-(aminomethyl)-5,5,5-trifluoro-2-propan-2-ylpentanoic acid

2-(aminomethyl)-5,5,5-trifluoro-2-propan-2-ylpentanoic acid (PubChem CID 106488526) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-(aminomethyl)-5,5,5-trifluoro-2-propan-2-ylpentanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-5,5,5-trifluoro-2-propan-2-ylpentanoic acid
PubChem CID106488526
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name2-(aminomethyl)-5,5,5-trifluoro-2-propan-2-ylpentanoic acid
SMILESCC(C)C(CN)(CCC(F)(F)F)C(=O)O
InChIInChI=1S/C9H16F3NO2/c1-6(2)8(5-13,7(14)15)3-4-9(10,11)12/h6H,3-5,13H2,1-2H3,(H,14,15)
InChIKeyJEMVEIXYFYPIAY-UHFFFAOYSA-N
XLogP2.01
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-methyl-2-[2-(trifluoromethoxy)ethyl]butanoic acid
CID 106488477
2-(aminomethyl)-2-propan-2-ylhexanoic acid
CID 106488461
2-(aminomethyl)-3-methyl-2-(2-phenylethyl)butanoic acid
CID 106488584
2-(aminomethyl)-6-phenyl-2-propan-2-ylhexanoic acid
CID 106488438
2-(aminomethyl)-4-(2-hydroxyethylamino)-4-oxo-2-propan-2-ylbutanoic acid
CID 106488527
2-(aminomethyl)-3-methyl-2-(pyrimidin-2-ylmethyl)butanoic acid
CID 106488505
(2S)-2-amino-2-(2-fluoroethyl)-3-methylbutanoic acid
CID 125427224
2-(aminomethyl)-3-ethyl-2-(2-methylpropyl)pentanoic acid
CID 106488970
2-(aminomethyl)-3-methyl-2-(2-methylpropyl)pentanoic acid
CID 106489127
2-(aminomethyl)-2-[(3,3-difluorocyclohexyl)methyl]-3-methylbutanoic acid
CID 114226085
2-(aminomethyl)-3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid
CID 107067051
2-(aminomethyl)-3-methyl-2-[(3-methylphenyl)methyl]butanoic acid
CID 106488491

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5,5,5-trifluoro-2-propan-2-ylpentanoic acid?
The IUPAC name of 2-(aminomethyl)-5,5,5-trifluoro-2-propan-2-ylpentanoic acid (CID 106488526) is 2-(aminomethyl)-5,5,5-trifluoro-2-propan-2-ylpentanoic acid.
What is the SMILES notation for 2-(aminomethyl)-5,5,5-trifluoro-2-propan-2-ylpentanoic acid?
The canonical SMILES for 2-(aminomethyl)-5,5,5-trifluoro-2-propan-2-ylpentanoic acid is CC(C)C(CN)(CCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-5,5,5-trifluoro-2-propan-2-ylpentanoic acid?
The InChIKey is JEMVEIXYFYPIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-6(2)8(5-13,7(14)15)3-4-9(10,11)12/h6H,3-5,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(aminomethyl)-5,5,5-trifluoro-2-propan-2-ylpentanoic acid?
2-(aminomethyl)-5,5,5-trifluoro-2-propan-2-ylpentanoic acid has a molecular weight of 227.23 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5,5,5-trifluoro-2-propan-2-ylpentanoic acid is sourced from PubChem (CID 106488526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).