2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-propan-2-ylamino]acetic acid

C12H13F3N2O4 — CID 60830357

IUPAC2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H13F3N2O4/c1-6(2)17(5-9(18)19)11(21)7-3-4-8(12(13,14)15)16-10(7)20/h3-4,6H,5H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyKUFOBHBXWQGNFO-UHFFFAOYSA-N
MW306.24 g/mol
LogP1.33
Rot. Bonds4

About 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-propan-2-ylamino]acetic acid

2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-propan-2-ylamino]acetic acid (PubChem CID 60830357) has the molecular formula C12H13F3N2O4 and a molecular weight of 306.24 g/mol. Its IUPAC name is 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-propan-2-ylamino]acetic acid
PubChem CID60830357
Molecular FormulaC12H13F3N2O4
Molecular Weight306.24 g/mol
Exact Mass306.08
IUPAC Name2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H13F3N2O4/c1-6(2)17(5-9(18)19)11(21)7-3-4-8(12(13,14)15)16-10(7)20/h3-4,6H,5H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyKUFOBHBXWQGNFO-UHFFFAOYSA-N
XLogP1.33
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carbonyl]amino]acetic acid
CID 141218762
2-[6-Methyl-2-oxo-3-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 142458848
Tert-butyl 2-[3-carbamoyl-2-oxo-6-(trifluoromethyl)-1-pyridinyl]acetate
CID 41724475
3-methyl-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid
CID 43170378
2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
CID 43170817
3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
CID 43171619
2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid
CID 43354402
3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
CID 43354741
2-[methyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid
CID 43356215
4-[methyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid
CID 43359992
3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid
CID 43360814
methyl 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetate
CID 43409577

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-propan-2-ylamino]acetic acid (CID 60830357) is 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-propan-2-ylamino]acetic acid?
The InChIKey is KUFOBHBXWQGNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O4/c1-6(2)17(5-9(18)19)11(21)7-3-4-8(12(13,14)15)16-10(7)20/h3-4,6H,5H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-propan-2-ylamino]acetic acid?
2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-propan-2-ylamino]acetic acid has a molecular weight of 306.24 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60830357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).