(2R)-2-[(3-fluorophenoxy)methyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid

C15H19FO5 — CID 159677204

IUPAC(2R)-2-[(3-fluorophenoxy)methyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
SMILESCC(C)(C)OC(=O)C[C@H](COc1cccc(F)c1)C(=O)O
InChIInChI=1S/C15H19FO5/c1-15(2,3)21-13(17)7-10(14(18)19)9-20-12-6-4-5-11(16)8-12/h4-6,8,10H,7,9H2,1-3H3,(H,18,19)/t10-/m1/s1
InChIKeyMUTFGLAVCXOWMJ-SNVBAGLBSA-N
MW298.31 g/mol
LogP2.64
Rot. Bonds6

About (2R)-2-[(3-fluorophenoxy)methyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid

(2R)-2-[(3-fluorophenoxy)methyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid (PubChem CID 159677204) has the molecular formula C15H19FO5 and a molecular weight of 298.31 g/mol. Its IUPAC name is (2R)-2-[(3-fluorophenoxy)methyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-fluorophenoxy)methyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
PubChem CID159677204
Molecular FormulaC15H19FO5
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC Name(2R)-2-[(3-fluorophenoxy)methyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
SMILESCC(C)(C)OC(=O)C[C@H](COc1cccc(F)c1)C(=O)O
InChIInChI=1S/C15H19FO5/c1-15(2,3)21-13(17)7-10(14(18)19)9-20-12-6-4-5-11(16)8-12/h4-6,8,10H,7,9H2,1-3H3,(H,18,19)/t10-/m1/s1
InChIKeyMUTFGLAVCXOWMJ-SNVBAGLBSA-N
XLogP2.64
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-O-tert-butyl 1-O-[(2S,3R)-3-(3-fluorophenoxy)butan-2-yl] (2R)-2-methylbutanedioate
CID 160896466
methyl 3-(3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 118862695
3-(3-fluorophenoxy)-2,2-dimethylpropanamide
CID 82078068
(2R)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-[(2,3,5-trifluorophenyl)methyl]butanoic acid
CID 167414677
(2S)-2-benzyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 11482453
4,4-dimethyl-2-[(3-methylphenoxy)methyl]pentanoic acid
CID 117242159
2-[[2-(3-fluorophenoxy)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43467655
(2S)-2-[(4-chloro-2-fluorophenyl)methyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 58222058
tert-butyl (3R)-3-(2-chlorophenyl)-4-(3,4-diaminophenoxy)butanoate
CID 158251500
5-(3-fluorophenoxy)-2,2-dimethylpentanoic acid
CID 65255314
(3S)-3-(aminomethyl)-6-(3-fluorophenoxy)-5-methylhexanoic acid
CID 68520307
2-(3-fluorophenoxy)-3-methoxypropanoic acid
CID 83704060

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-fluorophenoxy)methyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
The IUPAC name of (2R)-2-[(3-fluorophenoxy)methyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid (CID 159677204) is (2R)-2-[(3-fluorophenoxy)methyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-2-[(3-fluorophenoxy)methyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
The canonical SMILES for (2R)-2-[(3-fluorophenoxy)methyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid is CC(C)(C)OC(=O)C[C@H](COc1cccc(F)c1)C(=O)O.
What is the InChIKey of (2R)-2-[(3-fluorophenoxy)methyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
The InChIKey is MUTFGLAVCXOWMJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19FO5/c1-15(2,3)21-13(17)7-10(14(18)19)9-20-12-6-4-5-11(16)8-12/h4-6,8,10H,7,9H2,1-3H3,(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-2-[(3-fluorophenoxy)methyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
(2R)-2-[(3-fluorophenoxy)methyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid has a molecular weight of 298.31 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-fluorophenoxy)methyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid is sourced from PubChem (CID 159677204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).