8-[(1R,2R,5R)-2-(carboxymethyl)-5-hydroxy-3-oxocyclopentyl]-6-oxooctanoic acid

C15H22O7 — CID 71751558

IUPAC8-[(1R,2R,5R)-2-(carboxymethyl)-5-hydroxy-3-oxocyclopentyl]-6-oxooctanoic acid
SMILESO=C(O)CCCCC(=O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CC(=O)O
InChIInChI=1S/C15H22O7/c16-9(3-1-2-4-14(19)20)5-6-10-11(7-15(21)22)13(18)8-12(10)17/h10-12,17H,1-8H2,(H,19,20)(H,21,22)/t10-,11-,12-/m1/s1
InChIKeyJQPGYJSSJIANAB-IJLUTSLNSA-N
MW314.33 g/mol
LogP1.02
Rot. Bonds10

About 8-[(1R,2R,5R)-2-(carboxymethyl)-5-hydroxy-3-oxocyclopentyl]-6-oxooctanoic acid

8-[(1R,2R,5R)-2-(carboxymethyl)-5-hydroxy-3-oxocyclopentyl]-6-oxooctanoic acid (PubChem CID 71751558) has the molecular formula C15H22O7 and a molecular weight of 314.33 g/mol. Its IUPAC name is 8-[(1R,2R,5R)-2-(carboxymethyl)-5-hydroxy-3-oxocyclopentyl]-6-oxooctanoic acid.

Molecular Properties

Compound Name8-[(1R,2R,5R)-2-(carboxymethyl)-5-hydroxy-3-oxocyclopentyl]-6-oxooctanoic acid
PubChem CID71751558
Molecular FormulaC15H22O7
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Name8-[(1R,2R,5R)-2-(carboxymethyl)-5-hydroxy-3-oxocyclopentyl]-6-oxooctanoic acid
SMILESO=C(O)CCCCC(=O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CC(=O)O
InChIInChI=1S/C15H22O7/c16-9(3-1-2-4-14(19)20)5-6-10-11(7-15(21)22)13(18)8-12(10)17/h10-12,17H,1-8H2,(H,19,20)(H,21,22)/t10-,11-,12-/m1/s1
InChIKeyJQPGYJSSJIANAB-IJLUTSLNSA-N
XLogP1.02
TPSA128.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-[(1R)-2-(2-carboxyethyl)-5-hydroxy-3-oxocyclopentyl]-6-oxooctanoic acid
CID 71684390
8-[(1R,2R,5S)-2-(2-carboxyethyl)-5-hydroxy-3-oxocyclopentyl]-6-oxooctanoic acid
CID 35022131
3-[3-hydroxy-5-oxo-2-(3-oxooctyl)cyclopentyl]propanoic acid
CID 21322074
7-[(1R,2R,5R)-5-hydroxy-3-oxo-2-(3-oxooctyl)cyclopentyl]heptanoic acid
CID 35028414
7-[3-hydroxy-5-oxo-2-(3-oxooctyl)cyclopentyl]hept-5-enoic acid
CID 4307039
(Z)-7-[(1R,2R,3R)-3-hydroxy-5-oxo-2-(3-oxooctyl)cyclopentyl]hept-5-enoic acid
CID 5280711
8-[(1R,2R,5R)-2-(2-carboxyethyl)-5-hydroxy-3-oxocyclopentyl]-2,2,3,3,4,4-hexadeuterio-6-oxooctanoic acid
CID 87094813
7-(2-bromo-3-hydroxy-5-oxocyclopentyl)heptanoic acid
CID 20556063
7-[(1R,2R,3R)-3-hydroxy-5-oxo-2-(3-oxooctyl)cyclopentyl]heptanoate
CID 40565475
7-[(1R,2R,3R)-2-formyl-3-hydroxy-5-oxocyclopentyl]heptanoic acid
CID 18594734
7-[(1R,2R,3R)-2-(4,4-difluoro-6-methyl-3-oxoheptyl)-3-hydroxy-5-oxocyclopentyl]heptanoic acid
CID 67578151
7-[(1R,2R,3S,5R)-3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]-6-oxoheptanoic acid
CID 35022329

Frequently Asked Questions

What is the IUPAC name of 8-[(1R,2R,5R)-2-(carboxymethyl)-5-hydroxy-3-oxocyclopentyl]-6-oxooctanoic acid?
The IUPAC name of 8-[(1R,2R,5R)-2-(carboxymethyl)-5-hydroxy-3-oxocyclopentyl]-6-oxooctanoic acid (CID 71751558) is 8-[(1R,2R,5R)-2-(carboxymethyl)-5-hydroxy-3-oxocyclopentyl]-6-oxooctanoic acid.
What is the SMILES notation for 8-[(1R,2R,5R)-2-(carboxymethyl)-5-hydroxy-3-oxocyclopentyl]-6-oxooctanoic acid?
The canonical SMILES for 8-[(1R,2R,5R)-2-(carboxymethyl)-5-hydroxy-3-oxocyclopentyl]-6-oxooctanoic acid is O=C(O)CCCCC(=O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CC(=O)O.
What is the InChIKey of 8-[(1R,2R,5R)-2-(carboxymethyl)-5-hydroxy-3-oxocyclopentyl]-6-oxooctanoic acid?
The InChIKey is JQPGYJSSJIANAB-IJLUTSLNSA-N. The full InChI is InChI=1S/C15H22O7/c16-9(3-1-2-4-14(19)20)5-6-10-11(7-15(21)22)13(18)8-12(10)17/h10-12,17H,1-8H2,(H,19,20)(H,21,22)/t10-,11-,12-/m1/s1.
What are the key properties of 8-[(1R,2R,5R)-2-(carboxymethyl)-5-hydroxy-3-oxocyclopentyl]-6-oxooctanoic acid?
8-[(1R,2R,5R)-2-(carboxymethyl)-5-hydroxy-3-oxocyclopentyl]-6-oxooctanoic acid has a molecular weight of 314.33 g/mol, XLogP of 1.02, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1R,2R,5R)-2-(carboxymethyl)-5-hydroxy-3-oxocyclopentyl]-6-oxooctanoic acid is sourced from PubChem (CID 71751558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).