(2S)-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]hexanoic acid

C13H15F3N2O3 — CID 107144499

IUPAC(2S)-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1ccc(C(F)(F)F)cn1)C(=O)O
InChIInChI=1S/C13H15F3N2O3/c1-2-3-4-10(12(20)21)18-11(19)9-6-5-8(7-17-9)13(14,15)16/h5-7,10H,2-4H2,1H3,(H,18,19)(H,20,21)/t10-/m0/s1
InChIKeyNUEQGIFGLVVHMV-JTQLQIEISA-N
MW304.27 g/mol
LogP2.47
Rot. Bonds6

About (2S)-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]hexanoic acid

(2S)-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]hexanoic acid (PubChem CID 107144499) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is (2S)-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]hexanoic acid
PubChem CID107144499
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name(2S)-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1ccc(C(F)(F)F)cn1)C(=O)O
InChIInChI=1S/C13H15F3N2O3/c1-2-3-4-10(12(20)21)18-11(19)9-6-5-8(7-17-9)13(14,15)16/h5-7,10H,2-4H2,1H3,(H,18,19)(H,20,21)/t10-/m0/s1
InChIKeyNUEQGIFGLVVHMV-JTQLQIEISA-N
XLogP2.47
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid
CID 114908315
4-amino-4-oxo-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid
CID 114908307
ethyl 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoate
CID 115593424
4-[[(1S)-1-carboxypentyl]carbamoyl]benzoic acid
CID 120615746
2-(pyrazine-2-carbonylamino)hexanoic acid
CID 43388148
(2R)-2-[(5-bromopyridine-2-carbonyl)amino]pentanoic acid
CID 107562920
N-(1-chloro-4-methylpentan-3-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 106354916
2-(2H-triazole-4-carbonylamino)hexanoic acid
CID 63283324
N-but-3-yn-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114389784
(2R)-2-[(5-cyanopyridine-2-carbonyl)amino]pentanoic acid
CID 98538518
(2S)-2-[[4-(trifluoromethoxy)benzoyl]amino]hexanoic acid
CID 120614931
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909242

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]hexanoic acid?
The IUPAC name of (2S)-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]hexanoic acid (CID 107144499) is (2S)-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]hexanoic acid?
The canonical SMILES for (2S)-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]hexanoic acid is CCCC[C@H](NC(=O)c1ccc(C(F)(F)F)cn1)C(=O)O.
What is the InChIKey of (2S)-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]hexanoic acid?
The InChIKey is NUEQGIFGLVVHMV-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-2-3-4-10(12(20)21)18-11(19)9-6-5-8(7-17-9)13(14,15)16/h5-7,10H,2-4H2,1H3,(H,18,19)(H,20,21)/t10-/m0/s1.
What are the key properties of (2S)-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]hexanoic acid?
(2S)-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]hexanoic acid has a molecular weight of 304.27 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 107144499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).