2-amino-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid

C9H9F3N2O3 — CID 65441257

IUPAC2-amino-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid
SMILESNC(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O
InChIInChI=1S/C9H9F3N2O3/c10-9(11,12)5-1-2-7(15)14(3-5)4-6(13)8(16)17/h1-3,6H,4,13H2,(H,16,17)
InChIKeySBPBPHFCUKLPDJ-UHFFFAOYSA-N
MW250.18 g/mol
LogP0.28
Rot. Bonds3

About 2-amino-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid

2-amino-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid (PubChem CID 65441257) has the molecular formula C9H9F3N2O3 and a molecular weight of 250.18 g/mol. Its IUPAC name is 2-amino-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid
PubChem CID65441257
Molecular FormulaC9H9F3N2O3
Molecular Weight250.18 g/mol
Exact Mass250.06
IUPAC Name2-amino-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid
SMILESNC(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O
InChIInChI=1S/C9H9F3N2O3/c10-9(11,12)5-1-2-7(15)14(3-5)4-6(13)8(16)17/h1-3,6H,4,13H2,(H,16,17)
InChIKeySBPBPHFCUKLPDJ-UHFFFAOYSA-N
XLogP0.28
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Oxo-5-(trifluoromethyl)pyridin-1(2H)-yl)propanoic acid
CID 2737090
3-(2-aminopropanoylamino)-N-propylcyclohexa-1,5-diene-1-carboxamide;2,2,2-trifluoroacetic acid
CID 70584959
(2R)-2-[2-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]ethenyl]piperazine-1,4-dicarboxylic acid
CID 175598166
2-[2-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]ethenyl]piperazine-1,4-dicarboxylic acid
CID 175598170
Methyl 3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoate
CID 28133748
2-Acetamido-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid
CID 64581705
Methyl 2-acetamido-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoate
CID 65441641
2-[(6-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258882
2-Amino-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid
CID 81318580
2-Amino-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide
CID 81941313
4,4,4-Trifluoro-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid
CID 146077440
2-Amino-3-(2-oxo-1-pyridinyl)propanoic acid
CID 57177005

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid?
The IUPAC name of 2-amino-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid (CID 65441257) is 2-amino-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid?
The canonical SMILES for 2-amino-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid is NC(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O.
What is the InChIKey of 2-amino-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid?
The InChIKey is SBPBPHFCUKLPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3/c10-9(11,12)5-1-2-7(15)14(3-5)4-6(13)8(16)17/h1-3,6H,4,13H2,(H,16,17).
What are the key properties of 2-amino-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid?
2-amino-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid has a molecular weight of 250.18 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid is sourced from PubChem (CID 65441257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).