5-oxo-5-phenyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid

C13H12F3NO4 — CID 14390809

IUPAC5-oxo-5-phenyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
SMILESO=C(CCC(NC(=O)C(F)(F)F)C(=O)O)c1ccccc1
InChIInChI=1S/C13H12F3NO4/c14-13(15,16)12(21)17-9(11(19)20)6-7-10(18)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,17,21)(H,19,20)
InChIKeyLNNMTDBQCPMXBG-UHFFFAOYSA-N
MW303.24 g/mol
LogP1.78
Rot. Bonds6

About 5-oxo-5-phenyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid

5-oxo-5-phenyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid (PubChem CID 14390809) has the molecular formula C13H12F3NO4 and a molecular weight of 303.24 g/mol. Its IUPAC name is 5-oxo-5-phenyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-phenyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
PubChem CID14390809
Molecular FormulaC13H12F3NO4
Molecular Weight303.24 g/mol
Exact Mass303.07
IUPAC Name5-oxo-5-phenyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
SMILESO=C(CCC(NC(=O)C(F)(F)F)C(=O)O)c1ccccc1
InChIInChI=1S/C13H12F3NO4/c14-13(15,16)12(21)17-9(11(19)20)6-7-10(18)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,17,21)(H,19,20)
InChIKeyLNNMTDBQCPMXBG-UHFFFAOYSA-N
XLogP1.78
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-hydroxyphenyl)-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
CID 155195555
(2R)-4-oxo-4-phenyl-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 59018496
(2S)-5-phenyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
CID 14390812
(3S)-4-oxo-4-phenyl-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 102391267
2-methyl-5-oxo-5-phenylpentanoic acid
CID 13462808
(2S)-6-[(4-benzoylbenzoyl)amino]-2-[(2,2,2-trifluoroacetyl)amino]hexanoic acid
CID 87334104
2-[(5-oxo-5-phenylpentanoyl)amino]pentanedioic acid
CID 108796206
(2S)-4-[[(3S)-3-carboxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]disulfanyl]-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 11271129
(2S)-2-(phenacylamino)pentanedioic acid
CID 151542302
europium;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione)
CID 159123856
5-amino-2-[(2-amino-2-phenylpropanoyl)amino]-5-oxopentanoic acid
CID 62487551
(2S,5R)-2-benzamido-6,6,6-trifluoro-5-hydroxyhexanoic acid
CID 25323944

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-phenyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid?
The IUPAC name of 5-oxo-5-phenyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid (CID 14390809) is 5-oxo-5-phenyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid.
What is the SMILES notation for 5-oxo-5-phenyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid?
The canonical SMILES for 5-oxo-5-phenyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid is O=C(CCC(NC(=O)C(F)(F)F)C(=O)O)c1ccccc1.
What is the InChIKey of 5-oxo-5-phenyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid?
The InChIKey is LNNMTDBQCPMXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO4/c14-13(15,16)12(21)17-9(11(19)20)6-7-10(18)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,17,21)(H,19,20).
What are the key properties of 5-oxo-5-phenyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid?
5-oxo-5-phenyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid has a molecular weight of 303.24 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-phenyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid is sourced from PubChem (CID 14390809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).