5-methoxy-5-oxo-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pentanoic acid

C10H14F3NO6 — CID 103206219

IUPAC5-methoxy-5-oxo-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pentanoic acid
SMILESCOC(=O)CCC(NC(=O)COCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H14F3NO6/c1-19-8(16)3-2-6(9(17)18)14-7(15)4-20-5-10(11,12)13/h6H,2-5H2,1H3,(H,14,15)(H,17,18)
InChIKeyPGBMPIPCFDHJPI-UHFFFAOYSA-N
MW301.22 g/mol
LogP0.09
Rot. Bonds8

About 5-methoxy-5-oxo-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pentanoic acid

5-methoxy-5-oxo-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pentanoic acid (PubChem CID 103206219) has the molecular formula C10H14F3NO6 and a molecular weight of 301.22 g/mol. Its IUPAC name is 5-methoxy-5-oxo-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-methoxy-5-oxo-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pentanoic acid
PubChem CID103206219
Molecular FormulaC10H14F3NO6
Molecular Weight301.22 g/mol
Exact Mass301.08
IUPAC Name5-methoxy-5-oxo-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pentanoic acid
SMILESCOC(=O)CCC(NC(=O)COCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H14F3NO6/c1-19-8(16)3-2-6(9(17)18)14-7(15)4-20-5-10(11,12)13/h6H,2-5H2,1H3,(H,14,15)(H,17,18)
InChIKeyPGBMPIPCFDHJPI-UHFFFAOYSA-N
XLogP0.09
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-methoxy-4-oxo-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]butanoic acid
CID 103205985
2-[[2-(2-aminoethoxy)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82786420
methyl 3-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate
CID 103940728
(2R)-2-[(2-tert-butylsulfanylacetyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820679
(2S)-5-amino-5-oxo-2-[3-(2,2,2-trifluoroethoxy)propanoylamino]pentanoic acid
CID 61144339
(2S)-2-[[2-(ethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 114005133
(2S)-5-methoxy-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]-5-oxopentanoic acid
CID 107828997
2-[(4-methoxy-4-oxobutanoyl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 58996824
5-methoxy-5-oxo-2-[(2-phenoxyacetyl)amino]pentanoic acid
CID 82780603
methyl 2-(2,2,2-trifluoroethoxy)acetate
CID 19381016
(2R)-2-(4-ethoxybutanoylamino)-5-methoxy-5-oxopentanoic acid
CID 107820770
(2R)-5-methoxy-2-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107828176

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-oxo-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pentanoic acid?
The IUPAC name of 5-methoxy-5-oxo-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pentanoic acid (CID 103206219) is 5-methoxy-5-oxo-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pentanoic acid.
What is the SMILES notation for 5-methoxy-5-oxo-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pentanoic acid?
The canonical SMILES for 5-methoxy-5-oxo-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pentanoic acid is COC(=O)CCC(NC(=O)COCC(F)(F)F)C(=O)O.
What is the InChIKey of 5-methoxy-5-oxo-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pentanoic acid?
The InChIKey is PGBMPIPCFDHJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO6/c1-19-8(16)3-2-6(9(17)18)14-7(15)4-20-5-10(11,12)13/h6H,2-5H2,1H3,(H,14,15)(H,17,18).
What are the key properties of 5-methoxy-5-oxo-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pentanoic acid?
5-methoxy-5-oxo-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pentanoic acid has a molecular weight of 301.22 g/mol, XLogP of 0.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-oxo-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pentanoic acid is sourced from PubChem (CID 103206219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).