4-amino-4-oxo-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid

C11H10F3N3O4 — CID 114908307

IUPAC4-amino-4-oxo-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid
SMILESNC(=O)CC(NC(=O)c1ccc(C(F)(F)F)cn1)C(=O)O
InChIInChI=1S/C11H10F3N3O4/c12-11(13,14)5-1-2-6(16-4-5)9(19)17-7(10(20)21)3-8(15)18/h1-2,4,7H,3H2,(H2,15,18)(H,17,19)(H,20,21)
InChIKeyQFZGAVUHHCXIKT-UHFFFAOYSA-N
MW305.21 g/mol
LogP0.16
Rot. Bonds5

About 4-amino-4-oxo-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid

4-amino-4-oxo-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid (PubChem CID 114908307) has the molecular formula C11H10F3N3O4 and a molecular weight of 305.21 g/mol. Its IUPAC name is 4-amino-4-oxo-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-amino-4-oxo-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid
PubChem CID114908307
Molecular FormulaC11H10F3N3O4
Molecular Weight305.21 g/mol
Exact Mass305.06
IUPAC Name4-amino-4-oxo-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid
SMILESNC(=O)CC(NC(=O)c1ccc(C(F)(F)F)cn1)C(=O)O
InChIInChI=1S/C11H10F3N3O4/c12-11(13,14)5-1-2-6(16-4-5)9(19)17-7(10(20)21)3-8(15)18/h1-2,4,7H,3H2,(H2,15,18)(H,17,19)(H,20,21)
InChIKeyQFZGAVUHHCXIKT-UHFFFAOYSA-N
XLogP0.16
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid
CID 114908315
(2S)-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]hexanoic acid
CID 107144499
4-amino-4-oxo-2-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]butanoic acid
CID 43638813
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909242
3-cyclopropyl-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid
CID 114908376
(2S)-4-amino-4-oxo-2-(quinoxaline-2-carbonylamino)butanoic acid
CID 15308528
ethyl 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoate
CID 115593424
4-amino-4-oxo-2-(1,2,5-thiadiazole-3-carbonylamino)butanoic acid
CID 43522543
4-amino-2-[(6-chloropyridine-2-carbonyl)amino]-4-oxobutanoic acid
CID 62238713
N-but-3-yn-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114389784
4-amino-2-[(6-chloropyridine-3-carbonyl)amino]-4-oxobutanoic acid
CID 43240154
(2R)-4-amino-2-[(1-methylpyrazole-3-carbonyl)amino]-4-oxobutanoic acid
CID 107821158

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-oxo-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid?
The IUPAC name of 4-amino-4-oxo-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid (CID 114908307) is 4-amino-4-oxo-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-amino-4-oxo-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-amino-4-oxo-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid is NC(=O)CC(NC(=O)c1ccc(C(F)(F)F)cn1)C(=O)O.
What is the InChIKey of 4-amino-4-oxo-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid?
The InChIKey is QFZGAVUHHCXIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O4/c12-11(13,14)5-1-2-6(16-4-5)9(19)17-7(10(20)21)3-8(15)18/h1-2,4,7H,3H2,(H2,15,18)(H,17,19)(H,20,21).
What are the key properties of 4-amino-4-oxo-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid?
4-amino-4-oxo-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid has a molecular weight of 305.21 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-oxo-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid is sourced from PubChem (CID 114908307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).