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

C11H11F3N2O3 — CID 114908315

IUPAC2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid
SMILESCCC(NC(=O)c1ccc(C(F)(F)F)cn1)C(=O)O
InChIInChI=1S/C11H11F3N2O3/c1-2-7(10(18)19)16-9(17)8-4-3-6(5-15-8)11(12,13)14/h3-5,7H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyPRMMJPKQOOFKSX-UHFFFAOYSA-N
MW276.21 g/mol
LogP1.69
Rot. Bonds4

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

2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid (PubChem CID 114908315) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid
PubChem CID114908315
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Name2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid
SMILESCCC(NC(=O)c1ccc(C(F)(F)F)cn1)C(=O)O
InChIInChI=1S/C11H11F3N2O3/c1-2-7(10(18)19)16-9(17)8-4-3-6(5-15-8)11(12,13)14/h3-5,7H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyPRMMJPKQOOFKSX-UHFFFAOYSA-N
XLogP1.69
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]hexanoic acid
CID 107144499
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
2-[(5-cyanopyridine-2-carbonyl)amino]butanoic acid
CID 55228672
N-but-3-yn-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114389784
N-(1-chloro-4-methylpentan-3-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 106354916
3-cyclopropyl-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid
CID 114908376
2-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 43387176
3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentanoic acid
CID 55180135
N-[2-(ethylamino)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113265555
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909242
2-[[4-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid
CID 61181255

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid?
The IUPAC name of 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid (CID 114908315) is 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid.
What is the SMILES notation for 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid?
The canonical SMILES for 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid is CCC(NC(=O)c1ccc(C(F)(F)F)cn1)C(=O)O.
What is the InChIKey of 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid?
The InChIKey is PRMMJPKQOOFKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c1-2-7(10(18)19)16-9(17)8-4-3-6(5-15-8)11(12,13)14/h3-5,7H,2H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid?
2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid has a molecular weight of 276.21 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid is sourced from PubChem (CID 114908315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).