fluoro (2S)-3-(4-hydroxyphenyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)propanoate

C14H16FNO4 — CID 176713184

IUPACfluoro (2S)-3-(4-hydroxyphenyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)propanoate
SMILESCC1CCC(=O)N1[C@@H](Cc1ccc(O)cc1)C(=O)OF
InChIInChI=1S/C14H16FNO4/c1-9-2-7-13(18)16(9)12(14(19)20-15)8-10-3-5-11(17)6-4-10/h3-6,9,12,17H,2,7-8H2,1H3/t9?,12-/m0/s1
InChIKeyPGYLGQDOESMZKT-ACGXKRRESA-N
MW281.28 g/mol
LogP1.74
Rot. Bonds4

About fluoro (2S)-3-(4-hydroxyphenyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)propanoate

fluoro (2S)-3-(4-hydroxyphenyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)propanoate (PubChem CID 176713184) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is fluoro (2S)-3-(4-hydroxyphenyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)propanoate.

Molecular Properties

Compound Namefluoro (2S)-3-(4-hydroxyphenyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)propanoate
PubChem CID176713184
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Namefluoro (2S)-3-(4-hydroxyphenyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)propanoate
SMILESCC1CCC(=O)N1[C@@H](Cc1ccc(O)cc1)C(=O)OF
InChIInChI=1S/C14H16FNO4/c1-9-2-7-13(18)16(9)12(14(19)20-15)8-10-3-5-11(17)6-4-10/h3-6,9,12,17H,2,7-8H2,1H3/t9?,12-/m0/s1
InChIKeyPGYLGQDOESMZKT-ACGXKRRESA-N
XLogP1.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 104905485
1-[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690228
methyl (2S)-3-(4-hydroxyphenyl)-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)propanoate
CID 168707735
(2R)-2-amino-1-(2,5-dimethylpiperidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 104905282
ethyl 3-(4-hydroxyphenyl)-2-pyrrol-1-ylpropanoate
CID 18625802
methyl 3-(4-hydroxyphenyl)-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)propanoate
CID 4663260
(5S)-5-methyl-1-propan-2-ylpyrrolidin-2-one
CID 152785079
2-amino-3-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 76891872
(2S)-3-(4-hydroxyphenyl)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168692841
3-[1-(4-hydroxyphenyl)propan-2-ylamino]-1-methylpiperidine-2,6-dione
CID 115494415
2-amino-3-(4-hydroxyphenyl)-1-(2-methylazepan-1-yl)propan-1-one
CID 77020980
methyl (2S)-3-(4-hydroxyphenyl)-2-[4-(2-methoxy-2-oxoethyl)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
CID 162404489

Frequently Asked Questions

What is the IUPAC name of fluoro (2S)-3-(4-hydroxyphenyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)propanoate?
The IUPAC name of fluoro (2S)-3-(4-hydroxyphenyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)propanoate (CID 176713184) is fluoro (2S)-3-(4-hydroxyphenyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)propanoate.
What is the SMILES notation for fluoro (2S)-3-(4-hydroxyphenyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)propanoate?
The canonical SMILES for fluoro (2S)-3-(4-hydroxyphenyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)propanoate is CC1CCC(=O)N1[C@@H](Cc1ccc(O)cc1)C(=O)OF.
What is the InChIKey of fluoro (2S)-3-(4-hydroxyphenyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)propanoate?
The InChIKey is PGYLGQDOESMZKT-ACGXKRRESA-N. The full InChI is InChI=1S/C14H16FNO4/c1-9-2-7-13(18)16(9)12(14(19)20-15)8-10-3-5-11(17)6-4-10/h3-6,9,12,17H,2,7-8H2,1H3/t9?,12-/m0/s1.
What are the key properties of fluoro (2S)-3-(4-hydroxyphenyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)propanoate?
fluoro (2S)-3-(4-hydroxyphenyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)propanoate has a molecular weight of 281.28 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro (2S)-3-(4-hydroxyphenyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)propanoate is sourced from PubChem (CID 176713184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).