3-[[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propanoic acid

C9H9F3N2O3 — CID 167442874

IUPAC3-[[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propanoic acid
SMILESO=C(O)CCNc1c[nH]c(=O)c(C(F)(F)F)c1
InChIInChI=1S/C9H9F3N2O3/c10-9(11,12)6-3-5(4-14-8(6)17)13-2-1-7(15)16/h3-4,13H,1-2H2,(H,14,17)(H,15,16)
InChIKeyGFTYWZRIVBYYIN-UHFFFAOYSA-N
MW250.18 g/mol
LogP1.28
Rot. Bonds4

About 3-[[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propanoic acid

3-[[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propanoic acid (PubChem CID 167442874) has the molecular formula C9H9F3N2O3 and a molecular weight of 250.18 g/mol. Its IUPAC name is 3-[[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propanoic acid
PubChem CID167442874
Molecular FormulaC9H9F3N2O3
Molecular Weight250.18 g/mol
Exact Mass250.06
IUPAC Name3-[[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propanoic acid
SMILESO=C(O)CCNc1c[nH]c(=O)c(C(F)(F)F)c1
InChIInChI=1S/C9H9F3N2O3/c10-9(11,12)6-3-5(4-14-8(6)17)13-2-1-7(15)16/h3-4,13H,1-2H2,(H,14,17)(H,15,16)
InChIKeyGFTYWZRIVBYYIN-UHFFFAOYSA-N
XLogP1.28
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-fluoro-3-(trifluoromethyl)anilino]propanoic acid
CID 61228436
3-[4-(trifluoromethyl)anilino]propanoic acid
CID 28897348
3-[[6-phenylmethoxy-5-(trifluoromethyl)-3-pyridinyl]amino]propanoic acid
CID 174238704
2,3-dihydroxy-3-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanoic acid
CID 170824651
3-[2-fluoro-4-(trifluoromethyl)anilino]propanoic acid
CID 107303235
5-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one
CID 130953520
5-[4-bromo-3-(trifluoromethyl)anilino]-5-oxopentanoic acid
CID 60699581
5-[4-(methylamino)but-1-ynyl]-3-(trifluoromethyl)-1H-pyridin-2-one
CID 170464975
6-oxo-2-(propylamino)-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid
CID 19858324
3-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 130085385
3-(4-iodoanilino)propanoic acid
CID 28976553
2-[2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid
CID 134663224

Frequently Asked Questions

What is the IUPAC name of 3-[[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propanoic acid?
The IUPAC name of 3-[[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propanoic acid (CID 167442874) is 3-[[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propanoic acid.
What is the SMILES notation for 3-[[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propanoic acid?
The canonical SMILES for 3-[[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propanoic acid is O=C(O)CCNc1c[nH]c(=O)c(C(F)(F)F)c1.
What is the InChIKey of 3-[[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propanoic acid?
The InChIKey is GFTYWZRIVBYYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3/c10-9(11,12)6-3-5(4-14-8(6)17)13-2-1-7(15)16/h3-4,13H,1-2H2,(H,14,17)(H,15,16).
What are the key properties of 3-[[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propanoic acid?
3-[[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propanoic acid has a molecular weight of 250.18 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propanoic acid is sourced from PubChem (CID 167442874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).