(3R,5R)-5-amino-6-(methylamino)-3-(trifluoromethyl)hexanoic acid

C8H15F3N2O2 — CID 125425862

IUPAC(3R,5R)-5-amino-6-(methylamino)-3-(trifluoromethyl)hexanoic acid
SMILESCNC[C@H](N)C[C@H](CC(=O)O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-13-4-6(12)2-5(3-7(14)15)8(9,10)11/h5-6,13H,2-4,12H2,1H3,(H,14,15)/t5-,6-/m1/s1
InChIKeyCKWAUZMBYAYPFG-PHDIDXHHSA-N
MW228.21 g/mol
LogP0.58
Rot. Bonds6

About (3R,5R)-5-amino-6-(methylamino)-3-(trifluoromethyl)hexanoic acid

(3R,5R)-5-amino-6-(methylamino)-3-(trifluoromethyl)hexanoic acid (PubChem CID 125425862) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is (3R,5R)-5-amino-6-(methylamino)-3-(trifluoromethyl)hexanoic acid.

Molecular Properties

Compound Name(3R,5R)-5-amino-6-(methylamino)-3-(trifluoromethyl)hexanoic acid
PubChem CID125425862
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Name(3R,5R)-5-amino-6-(methylamino)-3-(trifluoromethyl)hexanoic acid
SMILESCNC[C@H](N)C[C@H](CC(=O)O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-13-4-6(12)2-5(3-7(14)15)8(9,10)11/h5-6,13H,2-4,12H2,1H3,(H,14,15)/t5-,6-/m1/s1
InChIKeyCKWAUZMBYAYPFG-PHDIDXHHSA-N
XLogP0.58
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5S)-5-amino-6-ethylsulfanyl-3-(trifluoromethyl)hexanoic acid
CID 125426659
4-amino-2-methyl-5-(methylamino)pentanoic acid
CID 142843506
4,4,4-trifluoro-3-(methoxymethyl)butanoic acid
CID 82405962
3-[(dimethylamino)methyl]-4,4,4-trifluorobutanoic acid;hydrochloride
CID 154577305
4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid
CID 2782190
N,4-dimethyl-2-(trifluoromethyl)pentan-1-amine
CID 83828619
N'-methyl-2-(trifluoromethyl)propane-1,3-diamine
CID 84716612
4,4,4-trifluoro-3-(2-methylprop-2-enoyloxymethyl)butanoic acid
CID 167048616
2-(methylaminomethyl)butanedioic acid
CID 84651177
3-fluoro-1-N-methylpropane-1,2-diamine
CID 89240852
5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)pentanoic acid
CID 50986501
3-amino-4-(4-methylpentylamino)butanoic acid
CID 115241793

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-amino-6-(methylamino)-3-(trifluoromethyl)hexanoic acid?
The IUPAC name of (3R,5R)-5-amino-6-(methylamino)-3-(trifluoromethyl)hexanoic acid (CID 125425862) is (3R,5R)-5-amino-6-(methylamino)-3-(trifluoromethyl)hexanoic acid.
What is the SMILES notation for (3R,5R)-5-amino-6-(methylamino)-3-(trifluoromethyl)hexanoic acid?
The canonical SMILES for (3R,5R)-5-amino-6-(methylamino)-3-(trifluoromethyl)hexanoic acid is CNC[C@H](N)C[C@H](CC(=O)O)C(F)(F)F.
What is the InChIKey of (3R,5R)-5-amino-6-(methylamino)-3-(trifluoromethyl)hexanoic acid?
The InChIKey is CKWAUZMBYAYPFG-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c1-13-4-6(12)2-5(3-7(14)15)8(9,10)11/h5-6,13H,2-4,12H2,1H3,(H,14,15)/t5-,6-/m1/s1.
What are the key properties of (3R,5R)-5-amino-6-(methylamino)-3-(trifluoromethyl)hexanoic acid?
(3R,5R)-5-amino-6-(methylamino)-3-(trifluoromethyl)hexanoic acid has a molecular weight of 228.21 g/mol, XLogP of 0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-amino-6-(methylamino)-3-(trifluoromethyl)hexanoic acid is sourced from PubChem (CID 125425862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).