(2R)-5,5,5-trifluoro-2-[(1R)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyridin-3-ylethyl]pentanoic acid

C16H20F3NO4 — CID 90079979

IUPAC(2R)-5,5,5-trifluoro-2-[(1R)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyridin-3-ylethyl]pentanoic acid
SMILESCC(C)(C)OC(=O)[C@@H](c1cccnc1)[C@@H](CCC(F)(F)F)C(=O)O
InChIInChI=1S/C16H20F3NO4/c1-15(2,3)24-14(23)12(10-5-4-8-20-9-10)11(13(21)22)6-7-16(17,18)19/h4-5,8-9,11-12H,6-7H2,1-3H3,(H,21,22)/t11-,12+/m1/s1
InChIKeyJUSHZMLLJZELIB-NEPJUHHUSA-N
MW347.33 g/mol
LogP3.55
Rot. Bonds6

About (2R)-5,5,5-trifluoro-2-[(1R)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyridin-3-ylethyl]pentanoic acid

(2R)-5,5,5-trifluoro-2-[(1R)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyridin-3-ylethyl]pentanoic acid (PubChem CID 90079979) has the molecular formula C16H20F3NO4 and a molecular weight of 347.33 g/mol. Its IUPAC name is (2R)-5,5,5-trifluoro-2-[(1R)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyridin-3-ylethyl]pentanoic acid.

Molecular Properties

Compound Name(2R)-5,5,5-trifluoro-2-[(1R)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyridin-3-ylethyl]pentanoic acid
PubChem CID90079979
Molecular FormulaC16H20F3NO4
Molecular Weight347.33 g/mol
Exact Mass347.13
IUPAC Name(2R)-5,5,5-trifluoro-2-[(1R)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyridin-3-ylethyl]pentanoic acid
SMILESCC(C)(C)OC(=O)[C@@H](c1cccnc1)[C@@H](CCC(F)(F)F)C(=O)O
InChIInChI=1S/C16H20F3NO4/c1-15(2,3)24-14(23)12(10-5-4-8-20-9-10)11(13(21)22)6-7-16(17,18)19/h4-5,8-9,11-12H,6-7H2,1-3H3,(H,21,22)/t11-,12+/m1/s1
InChIKeyJUSHZMLLJZELIB-NEPJUHHUSA-N
XLogP3.55
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-5,5,5-trifluoro-2-[(1R)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyridin-3-ylethyl]pentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[1-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5,5,5-trifluoropentanoic acid
CID 123201454
4-O-tert-butyl 1-O-ethyl (3R)-3-methyl-2-pyridin-3-ylbutanedioate
CID 70336338
1-O-tert-butyl 5-O-methyl 3-phenyl-2-pyridin-3-ylpentanedioate;methylphosphane
CID 143402441
tert-butyl 2-bromo-2-pyridin-3-ylacetate
CID 19746660
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-3-ylacetic acid
CID 26601142
(4S)-4-[(S)-[benzyl-[(1R)-1-phenylethyl]amino]-pyridin-3-ylmethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 24874016
3-methyl-2-pyridin-3-ylpentanoic acid
CID 80522853
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-3-ylpropanoic acid
CID 2761784
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-3-ylacetate
CID 26601141
tert-butyl N-[(4S)-4-hydroxy-4-pyridin-3-ylbutyl]carbamate
CID 164578067
5,5,5-trifluoro-N-methyl-1-pyridin-3-ylpentan-1-amine
CID 115516357
4,4,4-trifluoro-N-(2-methyl-1-pyridin-3-ylpropyl)butanamide
CID 118783705

Frequently Asked Questions

What is the IUPAC name of (2R)-5,5,5-trifluoro-2-[(1R)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyridin-3-ylethyl]pentanoic acid?
The IUPAC name of (2R)-5,5,5-trifluoro-2-[(1R)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyridin-3-ylethyl]pentanoic acid (CID 90079979) is (2R)-5,5,5-trifluoro-2-[(1R)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyridin-3-ylethyl]pentanoic acid.
What is the SMILES notation for (2R)-5,5,5-trifluoro-2-[(1R)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyridin-3-ylethyl]pentanoic acid?
The canonical SMILES for (2R)-5,5,5-trifluoro-2-[(1R)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyridin-3-ylethyl]pentanoic acid is CC(C)(C)OC(=O)[C@@H](c1cccnc1)[C@@H](CCC(F)(F)F)C(=O)O.
What is the InChIKey of (2R)-5,5,5-trifluoro-2-[(1R)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyridin-3-ylethyl]pentanoic acid?
The InChIKey is JUSHZMLLJZELIB-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H20F3NO4/c1-15(2,3)24-14(23)12(10-5-4-8-20-9-10)11(13(21)22)6-7-16(17,18)19/h4-5,8-9,11-12H,6-7H2,1-3H3,(H,21,22)/t11-,12+/m1/s1.
What are the key properties of (2R)-5,5,5-trifluoro-2-[(1R)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyridin-3-ylethyl]pentanoic acid?
(2R)-5,5,5-trifluoro-2-[(1R)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyridin-3-ylethyl]pentanoic acid has a molecular weight of 347.33 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5,5,5-trifluoro-2-[(1R)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyridin-3-ylethyl]pentanoic acid is sourced from PubChem (CID 90079979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).