3-[[2-(2,4,6-trifluorophenyl)acetyl]amino]propanoic acid

C11H10F3NO3 — CID 110487520

IUPAC3-[[2-(2,4,6-trifluorophenyl)acetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)Cc1c(F)cc(F)cc1F
InChIInChI=1S/C11H10F3NO3/c12-6-3-8(13)7(9(14)4-6)5-10(16)15-2-1-11(17)18/h3-4H,1-2,5H2,(H,15,16)(H,17,18)
InChIKeyZPCNFEOBTYKHRQ-UHFFFAOYSA-N
MW261.20 g/mol
LogP1.24
Rot. Bonds5

About 3-[[2-(2,4,6-trifluorophenyl)acetyl]amino]propanoic acid

3-[[2-(2,4,6-trifluorophenyl)acetyl]amino]propanoic acid (PubChem CID 110487520) has the molecular formula C11H10F3NO3 and a molecular weight of 261.20 g/mol. Its IUPAC name is 3-[[2-(2,4,6-trifluorophenyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(2,4,6-trifluorophenyl)acetyl]amino]propanoic acid
PubChem CID110487520
Molecular FormulaC11H10F3NO3
Molecular Weight261.20 g/mol
Exact Mass261.06
IUPAC Name3-[[2-(2,4,6-trifluorophenyl)acetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)Cc1c(F)cc(F)cc1F
InChIInChI=1S/C11H10F3NO3/c12-6-3-8(13)7(9(14)4-6)5-10(16)15-2-1-11(17)18/h3-4H,1-2,5H2,(H,15,16)(H,17,18)
InChIKeyZPCNFEOBTYKHRQ-UHFFFAOYSA-N
XLogP1.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(4-chlorophenyl)ethyl-[3-[[2-(2,4,6-trifluorophenyl)acetyl]amino]propyl]amino]butanoic acid
CID 10183727
3-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]propanoic acid
CID 119176967
3-(2,4-difluoro-6-hydroxyphenyl)propanoic acid
CID 84776661
3-[[2-(2,4-difluorophenoxy)acetyl]amino]propanoic acid
CID 43170635
3-chloro-N-[2-(2,4,6-trifluorophenyl)ethyl]propanamide
CID 110480868
3-[[2-[6-fluoro-1-(4-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetyl]amino]propanoic acid
CID 69487257
7-[[2-(4-bromo-3-fluorophenyl)acetyl]amino]heptanoic acid
CID 120524041
3-[(3,5-difluorophenyl)carbamoylamino]propanoic acid
CID 61189395
3-[[2-(5-fluoro-1-benzofuran-3-yl)acetyl]amino]propanoic acid
CID 110488680
3-[[2-[6-fluoro-5-hydroxy-2-methyl-1-(4-methylbenzenecarbothioyl)indol-3-yl]acetyl]amino]propanoic acid
CID 87990180
3-[3-[(2-phenylacetyl)amino]propanoylamino]propanoic acid
CID 119177045
3-[(2,4,6-trifluorophenyl)sulfonylamino]propanoic acid
CID 54881721

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,4,6-trifluorophenyl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(2,4,6-trifluorophenyl)acetyl]amino]propanoic acid (CID 110487520) is 3-[[2-(2,4,6-trifluorophenyl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(2,4,6-trifluorophenyl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(2,4,6-trifluorophenyl)acetyl]amino]propanoic acid is O=C(O)CCNC(=O)Cc1c(F)cc(F)cc1F.
What is the InChIKey of 3-[[2-(2,4,6-trifluorophenyl)acetyl]amino]propanoic acid?
The InChIKey is ZPCNFEOBTYKHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO3/c12-6-3-8(13)7(9(14)4-6)5-10(16)15-2-1-11(17)18/h3-4H,1-2,5H2,(H,15,16)(H,17,18).
What are the key properties of 3-[[2-(2,4,6-trifluorophenyl)acetyl]amino]propanoic acid?
3-[[2-(2,4,6-trifluorophenyl)acetyl]amino]propanoic acid has a molecular weight of 261.20 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,4,6-trifluorophenyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 110487520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).