7-[3-fluoro-5-(3-hydroxy-7-phenylhept-1-enyl)-2-oxopyrrolidin-1-yl]heptanoic acid

C24H34FNO4 — CID 123393422

IUPAC7-[3-fluoro-5-(3-hydroxy-7-phenylhept-1-enyl)-2-oxopyrrolidin-1-yl]heptanoic acid
SMILESO=C(O)CCCCCCN1C(=O)C(F)CC1C=CC(O)CCCCc1ccccc1
InChIInChI=1S/C24H34FNO4/c25-22-18-20(26(24(22)30)17-9-2-1-6-14-23(28)29)15-16-21(27)13-8-7-12-19-10-4-3-5-11-19/h3-5,10-11,15-16,20-22,27H,1-2,6-9,12-14,17-18H2,(H,28,29)
InChIKeyIZSZGHRDPPUBKH-UHFFFAOYSA-N
MW419.54 g/mol
LogP4.29
Rot. Bonds14

About 7-[3-fluoro-5-(3-hydroxy-7-phenylhept-1-enyl)-2-oxopyrrolidin-1-yl]heptanoic acid

7-[3-fluoro-5-(3-hydroxy-7-phenylhept-1-enyl)-2-oxopyrrolidin-1-yl]heptanoic acid (PubChem CID 123393422) has the molecular formula C24H34FNO4 and a molecular weight of 419.54 g/mol. Its IUPAC name is 7-[3-fluoro-5-(3-hydroxy-7-phenylhept-1-enyl)-2-oxopyrrolidin-1-yl]heptanoic acid.

Molecular Properties

Compound Name7-[3-fluoro-5-(3-hydroxy-7-phenylhept-1-enyl)-2-oxopyrrolidin-1-yl]heptanoic acid
PubChem CID123393422
Molecular FormulaC24H34FNO4
Molecular Weight419.54 g/mol
Exact Mass419.25
IUPAC Name7-[3-fluoro-5-(3-hydroxy-7-phenylhept-1-enyl)-2-oxopyrrolidin-1-yl]heptanoic acid
SMILESO=C(O)CCCCCCN1C(=O)C(F)CC1C=CC(O)CCCCc1ccccc1
InChIInChI=1S/C24H34FNO4/c25-22-18-20(26(24(22)30)17-9-2-1-6-14-23(28)29)15-16-21(27)13-8-7-12-19-10-4-3-5-11-19/h3-5,10-11,15-16,20-22,27H,1-2,6-9,12-14,17-18H2,(H,28,29)
InChIKeyIZSZGHRDPPUBKH-UHFFFAOYSA-N
XLogP4.29
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.54
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 7-[(5R)-3,3-difluoro-5-[(E)-3-hydroxy-7-phenylhept-1-enyl]-2-oxopyrrolidin-1-yl]heptanoate
CID 72950257
7-[(2R)-2-[(3S,4R)-3-hydroxy-4-methyl-8-phenyloct-1-enyl]-5-oxopyrrolidin-1-yl]heptanoic acid
CID 118691782
7-[(5R)-3,3-difluoro-5-[(3S,4S)-3-hydroxy-4-methyl-7-phenylhept-1-enyl]-2-oxopyrrolidin-1-yl]heptanoic acid
CID 118160061
7-[(5R)-3,3-difluoro-5-[(E,3R)-3-hydroxy-4-methyl-7-phenylhept-1-enyl]-2-oxopyrrolidin-1-yl]heptanoic acid
CID 72949916
7-[(4R,5R)-4-hydroxy-5-[(E,3S)-3-hydroxyoct-1-enyl]-2-(4-phenylbutyl)cyclopenten-1-yl]heptanoic acid
CID 18395383
7-[(5S)-3-benzyl-5-[(E)-4,4-difluoro-3-hydroxy-4-phenylbut-1-enyl]-2-oxoimidazolidin-1-yl]heptanoic acid
CID 11755156
15-phenylpentadecanoic acid
CID 2737151
7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]heptanoic acid
CID 45381998
7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]heptanoic acid
CID 67356623
7-[(5R)-2-hydroxy-5-[(E,3S,4S)-3-hydroxy-4-methyl-7-phenylhept-1-enyl]pyrrolidin-1-yl]heptanoic acid
CID 155027432
sodium;hydride;15-phenylpentadecanoic acid;selane
CID 174846933
sodium;hydride;12-phenyldodecanoic acid;selane
CID 174847736

Frequently Asked Questions

What is the IUPAC name of 7-[3-fluoro-5-(3-hydroxy-7-phenylhept-1-enyl)-2-oxopyrrolidin-1-yl]heptanoic acid?
The IUPAC name of 7-[3-fluoro-5-(3-hydroxy-7-phenylhept-1-enyl)-2-oxopyrrolidin-1-yl]heptanoic acid (CID 123393422) is 7-[3-fluoro-5-(3-hydroxy-7-phenylhept-1-enyl)-2-oxopyrrolidin-1-yl]heptanoic acid.
What is the SMILES notation for 7-[3-fluoro-5-(3-hydroxy-7-phenylhept-1-enyl)-2-oxopyrrolidin-1-yl]heptanoic acid?
The canonical SMILES for 7-[3-fluoro-5-(3-hydroxy-7-phenylhept-1-enyl)-2-oxopyrrolidin-1-yl]heptanoic acid is O=C(O)CCCCCCN1C(=O)C(F)CC1C=CC(O)CCCCc1ccccc1.
What is the InChIKey of 7-[3-fluoro-5-(3-hydroxy-7-phenylhept-1-enyl)-2-oxopyrrolidin-1-yl]heptanoic acid?
The InChIKey is IZSZGHRDPPUBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FNO4/c25-22-18-20(26(24(22)30)17-9-2-1-6-14-23(28)29)15-16-21(27)13-8-7-12-19-10-4-3-5-11-19/h3-5,10-11,15-16,20-22,27H,1-2,6-9,12-14,17-18H2,(H,28,29).
What are the key properties of 7-[3-fluoro-5-(3-hydroxy-7-phenylhept-1-enyl)-2-oxopyrrolidin-1-yl]heptanoic acid?
7-[3-fluoro-5-(3-hydroxy-7-phenylhept-1-enyl)-2-oxopyrrolidin-1-yl]heptanoic acid has a molecular weight of 419.54 g/mol, XLogP of 4.29, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-fluoro-5-(3-hydroxy-7-phenylhept-1-enyl)-2-oxopyrrolidin-1-yl]heptanoic acid is sourced from PubChem (CID 123393422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).