7-[(3Z)-2-[4-(4-fluorophenoxy)-3-hydroxybutyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid

C22H32FNO6 — CID 22970236

IUPAC7-[(3Z)-2-[4-(4-fluorophenoxy)-3-hydroxybutyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid
SMILESO=C(O)CCCCCCC1C(O)C/C(=N/O)C1CCC(O)COc1ccc(F)cc1
InChIInChI=1S/C22H32FNO6/c23-15-7-10-17(11-8-15)30-14-16(25)9-12-18-19(21(26)13-20(18)24-29)5-3-1-2-4-6-22(27)28/h7-8,10-11,16,18-19,21,25-26,29H,1-6,9,12-14H2,(H,27,28)/b24-20-
InChIKeyUSJMVDUEZZCRTM-GFMRDNFCSA-N
MW425.50 g/mol
LogP3.60
Rot. Bonds13

About 7-[(3Z)-2-[4-(4-fluorophenoxy)-3-hydroxybutyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid

7-[(3Z)-2-[4-(4-fluorophenoxy)-3-hydroxybutyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid (PubChem CID 22970236) has the molecular formula C22H32FNO6 and a molecular weight of 425.50 g/mol. Its IUPAC name is 7-[(3Z)-2-[4-(4-fluorophenoxy)-3-hydroxybutyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid.

Molecular Properties

Compound Name7-[(3Z)-2-[4-(4-fluorophenoxy)-3-hydroxybutyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid
PubChem CID22970236
Molecular FormulaC22H32FNO6
Molecular Weight425.50 g/mol
Exact Mass425.22
IUPAC Name7-[(3Z)-2-[4-(4-fluorophenoxy)-3-hydroxybutyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid
SMILESO=C(O)CCCCCCC1C(O)C/C(=N/O)C1CCC(O)COc1ccc(F)cc1
InChIInChI=1S/C22H32FNO6/c23-15-7-10-17(11-8-15)30-14-16(25)9-12-18-19(21(26)13-20(18)24-29)5-3-1-2-4-6-22(27)28/h7-8,10-11,16,18-19,21,25-26,29H,1-6,9,12-14H2,(H,27,28)/b24-20-
InChIKeyUSJMVDUEZZCRTM-GFMRDNFCSA-N
XLogP3.60
TPSA119.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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'}

Analyze 7-[(3Z)-2-[4-(4-fluorophenoxy)-3-hydroxybutyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(3Z)-2-[4-(2,4-difluorophenoxy)-3-hydroxybutyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid
CID 22970228
7-[(3Z)-2-[6-(2-fluorophenyl)-3-hydroxyhexyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid
CID 22085182
8-[(3Z)-2-[5-(4-fluorophenyl)-3-hydroxypentyl]-5-hydroxy-3-hydroxyiminocyclopentyl]octan-2-one
CID 22085204
ethyl (E)-7-[(3Z)-2-[4-(4-fluorophenoxy)-3-hydroxybutyl]-5-hydroxy-3-hydroxyiminocyclopentyl]hept-5-enoate
CID 22970249
ethyl 7-[(3Z)-2-[4-(4-fluorophenyl)sulfanyl-3-hydroxybutyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoate
CID 22970251
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
4-[[(3aR,4R,5R,6aS)-4-[4-(4-fluorophenoxy)-3-hydroxybutyl]-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]oxy]butanoic acid
CID 22828976
7-[(1S,2R)-2-[3-(4-fluorophenoxy)-2-hydroxypropyl]sulfanyl-3-hydroxy-5-oxocyclopentyl]heptanoic acid
CID 22802463
7-[(1R,2R,3Z,5S)-2-[(3S)-6-(2-fluorophenyl)-3-hydroxyhexyl]-5-hydroxy-3-methoxyiminocyclopentyl]heptanoic acid
CID 58654676
7-[(3E)-2-[5-(3,5-difluorophenyl)-3-hydroxypentyl]-3-ethoxyimino-5-hydroxycyclopentyl]heptanoic acid
CID 22085174
N-hydroxy-2-[4-[(1R,2R,3Z,5S)-5-hydroxy-3-hydroxyimino-2-[(3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentyl]butoxy]acetamide;hydroxylamine;methanol;methyl 7-[(1R,2R,3Z,5S)-5-hydroxy-3-hydroxyimino-2-[(3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentyl]heptanoate
CID 172953609

Frequently Asked Questions

What is the IUPAC name of 7-[(3Z)-2-[4-(4-fluorophenoxy)-3-hydroxybutyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid?
The IUPAC name of 7-[(3Z)-2-[4-(4-fluorophenoxy)-3-hydroxybutyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid (CID 22970236) is 7-[(3Z)-2-[4-(4-fluorophenoxy)-3-hydroxybutyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid.
What is the SMILES notation for 7-[(3Z)-2-[4-(4-fluorophenoxy)-3-hydroxybutyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid?
The canonical SMILES for 7-[(3Z)-2-[4-(4-fluorophenoxy)-3-hydroxybutyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid is O=C(O)CCCCCCC1C(O)C/C(=N/O)C1CCC(O)COc1ccc(F)cc1.
What is the InChIKey of 7-[(3Z)-2-[4-(4-fluorophenoxy)-3-hydroxybutyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid?
The InChIKey is USJMVDUEZZCRTM-GFMRDNFCSA-N. The full InChI is InChI=1S/C22H32FNO6/c23-15-7-10-17(11-8-15)30-14-16(25)9-12-18-19(21(26)13-20(18)24-29)5-3-1-2-4-6-22(27)28/h7-8,10-11,16,18-19,21,25-26,29H,1-6,9,12-14H2,(H,27,28)/b24-20-.
What are the key properties of 7-[(3Z)-2-[4-(4-fluorophenoxy)-3-hydroxybutyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid?
7-[(3Z)-2-[4-(4-fluorophenoxy)-3-hydroxybutyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid has a molecular weight of 425.50 g/mol, XLogP of 3.60, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3Z)-2-[4-(4-fluorophenoxy)-3-hydroxybutyl]-5-hydroxy-3-hydroxyiminocyclopentyl]heptanoic acid is sourced from PubChem (CID 22970236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).