7-[(3Z)-2-[6-(2-fluorophenyl)-3-hydroxyhexyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid

C24H36FNO5 — CID 22085182

IUPAC7-[(3Z)-2-[6-(2-fluorophenyl)-3-hydroxyhexyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid
SMILESO=C(O)CCCCCCC1C(O)C/C(=N/O)C1CCC(O)CCCc1ccccc1F
InChIInChI=1S/C24H36FNO5/c25-21-12-6-5-8-17(21)9-7-10-18(27)14-15-19-20(23(28)16-22(19)26-31)11-3-1-2-4-13-24(29)30/h5-6,8,12,18-20,23,27-28,31H,1-4,7,9-11,13-16H2,(H,29,30)/b26-22-
InChIKeyNTZSNDMQMUTGKH-ROMGYVFFSA-N
MW437.55 g/mol
LogP4.54
Rot. Bonds14

About 7-[(3Z)-2-[6-(2-fluorophenyl)-3-hydroxyhexyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid

7-[(3Z)-2-[6-(2-fluorophenyl)-3-hydroxyhexyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid (PubChem CID 22085182) has the molecular formula C24H36FNO5 and a molecular weight of 437.55 g/mol. Its IUPAC name is 7-[(3Z)-2-[6-(2-fluorophenyl)-3-hydroxyhexyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid.

Molecular Properties

Compound Name7-[(3Z)-2-[6-(2-fluorophenyl)-3-hydroxyhexyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid
PubChem CID22085182
Molecular FormulaC24H36FNO5
Molecular Weight437.55 g/mol
Exact Mass437.26
IUPAC Name7-[(3Z)-2-[6-(2-fluorophenyl)-3-hydroxyhexyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid
SMILESO=C(O)CCCCCCC1C(O)C/C(=N/O)C1CCC(O)CCCc1ccccc1F
InChIInChI=1S/C24H36FNO5/c25-21-12-6-5-8-17(21)9-7-10-18(27)14-15-19-20(23(28)16-22(19)26-31)11-3-1-2-4-13-24(29)30/h5-6,8,12,18-20,23,27-28,31H,1-4,7,9-11,13-16H2,(H,29,30)/b26-22-
InChIKeyNTZSNDMQMUTGKH-ROMGYVFFSA-N
XLogP4.54
TPSA110.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-[(1R,2R,3Z,5S)-2-[(3S)-6-(2-fluorophenyl)-3-hydroxyhexyl]-5-hydroxy-3-methoxyiminocyclopentyl]heptanoic acid
CID 58654676
7-[(1R,3Z,5S)-2-[(3S)-6-(furan-2-yl)-3-hydroxyhexyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid
CID 172961845
7-[(1R,2R,3Z,5S)-2-[(3S)-6-(3-bromophenyl)-3-hydroxyhexyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid
CID 58654714
7-[(3Z)-2-[4-(4-fluorophenoxy)-3-hydroxybutyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid
CID 22970236
8-[(3Z)-2-[5-(4-fluorophenyl)-3-hydroxypentyl]-5-hydroxy-3-hydroxyiminocyclopentyl]octan-2-one
CID 22085204
7-[(3Z)-2-[4-(2,4-difluorophenoxy)-3-hydroxybutyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid
CID 22970228
methyl 7-[(1R,2R,3Z,5S)-5-hydroxy-3-hydroxyimino-2-[(3S)-3-hydroxy-6-thiophen-2-ylhexyl]cyclopentyl]heptanoate
CID 58654664
7-[(3E)-2-[5-(3,5-difluorophenyl)-3-hydroxypentyl]-3-ethoxyimino-5-hydroxycyclopentyl]heptanoic acid
CID 22085174
ethyl 7-[(3Z)-2-[4-(4-fluorophenyl)sulfanyl-3-hydroxybutyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoate
CID 22970251
7-[(1R,2R,5S)-2-[(3R)-5-(1-benzothiophen-2-yl)-3-hydroxypentyl]-5-hydroxy-3-oxocyclopentyl]heptanoic acid
CID 67000883
7-[(1R,3R,5S)-2-[4-(2-fluoroanilino)-3-hydroxy-4-oxobutyl]-3,5-dihydroxycyclopentyl]heptanoic acid
CID 70853074
7-[(1R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-4-phenylbutyl]cyclopentyl]heptanoic acid
CID 70853247

Frequently Asked Questions

What is the IUPAC name of 7-[(3Z)-2-[6-(2-fluorophenyl)-3-hydroxyhexyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid?
The IUPAC name of 7-[(3Z)-2-[6-(2-fluorophenyl)-3-hydroxyhexyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid (CID 22085182) is 7-[(3Z)-2-[6-(2-fluorophenyl)-3-hydroxyhexyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid.
What is the SMILES notation for 7-[(3Z)-2-[6-(2-fluorophenyl)-3-hydroxyhexyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid?
The canonical SMILES for 7-[(3Z)-2-[6-(2-fluorophenyl)-3-hydroxyhexyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid is O=C(O)CCCCCCC1C(O)C/C(=N/O)C1CCC(O)CCCc1ccccc1F.
What is the InChIKey of 7-[(3Z)-2-[6-(2-fluorophenyl)-3-hydroxyhexyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid?
The InChIKey is NTZSNDMQMUTGKH-ROMGYVFFSA-N. The full InChI is InChI=1S/C24H36FNO5/c25-21-12-6-5-8-17(21)9-7-10-18(27)14-15-19-20(23(28)16-22(19)26-31)11-3-1-2-4-13-24(29)30/h5-6,8,12,18-20,23,27-28,31H,1-4,7,9-11,13-16H2,(H,29,30)/b26-22-.
What are the key properties of 7-[(3Z)-2-[6-(2-fluorophenyl)-3-hydroxyhexyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid?
7-[(3Z)-2-[6-(2-fluorophenyl)-3-hydroxyhexyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid has a molecular weight of 437.55 g/mol, XLogP of 4.54, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3Z)-2-[6-(2-fluorophenyl)-3-hydroxyhexyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid is sourced from PubChem (CID 22085182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).